Professional Documents
Culture Documents
Mathematical Chemistry
Code: 19A31C208
Compulsory courses
Persons Responsible :
Jusniar
Muh Yunus
Sumiati
Munawwarah
Darminto
1
MODUL 1
LEARNING ACTIVITY 1
Dear students, Module 1 Learning Activity 1 discusses the material on the Concept of Quantity and Unit.
The material is described in detail so that it can facilitate you in your efforts to achieve the ability to apply
various mathematical foundations in solving problems in chemical materials.
3. Learning materials
The learning materials that will be delivered in learning activity 1 in module 1 of this Mathematical
Chemistry course are:
a. International Unit Systems
b. Derivate Sistem of IUS
4. material Explanation
A. The International Unit Systems
2
1.650.763,73 for the long of wave in vacuum from the red-orange line in Cryptone-86
spectrum.
2) Kilograms
The unit mass cilinder made from Platinum – Iradium which was taken by department of
mass and units international in Paris.
3) Second
Time is spent by the circle 9.192.631,770 from radiaton which is hooked with the transition
of Cs-133
4) Ampere
The electricity current when it flow in the paralel wire which separated for 1 metre in
vacuum room, it will cause the force in that wire 2x10-7 N per metre of wire.
5) Kelvin
1
The fraction of from temperature of zero absolute and the double small drops – of
273.16
the three water.
6) Mole
The sum of matter which consist of the same quantity with atoms in 0.12 kg from Carbon-
12.
7) Candella
1
The intencity of light from m2 in black noun at the freezing point of Platinum,
600.000
2045 K.
All of the derivative of units in SI was found from mathematic operational, multiplying and
dividing. Some of the derivative of units have the specific symbol. The units form in SI system is Joule.
This unit has the specific symbol, J which is the derivative of units from kg.m2.s-2.
3
Based on the derivative units of SI, it can be concluded that derivative units appear from the units
combination by applying mathematic operational.
e.g.
1. The unit of volume in SI is m3, because
Volume = long x long x long
=mxmxm
= m3
2. The unit of density in SI is kg/m3, because
mass kg
Density = 3
volume m
The unit symbols can be stated in format below :
1) Unit multiplication, such as kilogram second
a. Point kg.s
b. Space kg.s
2) Unit substraction, such as metre per second
a. Division sign m/s
b. Negative exponent m.s-1
The natural measurement can take place from microscope scale until astronomy. This cause the
number in front of the unit can be a fraction until multiple. Stating the fraction or decimal multiple in SI,
we used the prefix system.
e.g.
1 nm = 10-9 m
1 km = 103 m
1 ps = 10-12 s
1 Gpa = 109 Pa
PROBLEMS
1) What are the fundamental SI units for length, mass, and time?
2) Express 24 meters in (a) centimeter (b) kilometer
3) Express 5.6 kilograms in (a) gram (b) hectogram (miligram)
4) What volume water, in liter, would be required to fill a tank 25 cm long, 18 cm wide, and 13 cm
deep?
4
5) A piece of granite has a mass of 55 g and a volume of 20.0 cm3. What is the density of the piece the
granite?
6) 4 yard = .... ft, if 1 yard = 3 ft
7) The salary of the workers in the industry is Rp. 5.000,- for 2 hours. How musch money will the
workers get for 12 hours?
8) Use the conversion factor (Factor-Lable Method) to do these exercise below :
a. 14 hours = ... seconds
b. 2 x 104 seconds = ... years
c. 20 cm=……m
d. 1m3 =………cm3
e. 1m3 =………L
f. 1 L = ………dm3
9) For each of the following pairs of units, work out a conversion factor F that will convert a
measurement given in one unit to a measurement given in the other, and show the simple steps used
in your work.
(a) ounces to tons
(b) cubic inches to cubic yards
(c) feet per second to miles per hour
(d) tons per square yard to pounds per square inch
(e) cents per pound to dollars per ton
(f) seconds to weeks
(g) cubic feet per second to quarts per minute
(h) miles to fathoms (1 fathom = 6 ft)
(i) yards to mils (1 mil = 1/1000 in)
10) Ionisation energy of electron is 2,18 x 10-18 Joule, so:
a. = ………cal
b. = ………erg
c. = ……….ev
5
MODUL 1
LEARNING ACTIVITY 2
Students, Module 1 Learning Activity 2 discusses the material on unit conversion. This material is a
series of materials in module 1 activity 1 and will be described in detail in order to facilitate you in your
efforts to achieve the ability to apply various mathematical foundations in solving problems in
chemistry, especially in converting units.
3. Learning materials
The learning materials that will be delivered in learning activities 2 in module 1 of this Mathematical
Chemistry course are:
a. Unit Conversion
b. The Factor-Label Method
4. Materials Explanation
a. Unit Conversion
The unit of non – SI which need the specific explanation is temperature. The temperature unit
which is known are Kelvin (K), celcius (C) and Fahrenheit (F). Both of the last units are the unit of non –
SI.
6
o
T
273,15 atau t 273,15 C
T
K K
o
9 t
o 32 atau t o 32 F
t 9 t
o
F 5 C 5 C
o
5 t
o 32 atau t o 32 C
t 5 1
o
C 9 F 9 F
o
1 K
o
K o C 273,15 o C o
1C
o
5 C
o
C o F 32 o F o
9 F
o
F 0 32 o F o
o 9 F
5 C
0 o C 32 o F 273,15 o K
Table 2.4. The Several Units of non – SI
Unit
Quantities The Name of Units Defenition
Symbols
Length Angstrom Ao 1010 m
Inch in 2.54 x 10-2 m
Yard yard 0.9144 m
Mil mil 1.609 x 103 m
Volume Litre Pa Nm-2
Gallon 3.785 dm3
Ounce (liquid) 2.96 x 10-2 dm = 2.96 x 103 dm3
Mass Pound 453.6 gr = 4.536 x 10-1 kg
Atomic mass unit
1.66057 x 10-27 kg
(Dalton)
Energy Elevtron volt eV 106021892 x 10-19 J
Wave point cm-1 1.986 x 10-23 J
Calorie kal 4.184 J
Erg 10-7 J
Force Dyne 10-5N
Pressure Atmosphere atm 101.325 kNm-2(kPa)
Torr 133.322 Nm-2
Electric
e.s.u 3.334 x 10-10 C
resistance
Dipole moment dibye (10-18 e.s.u cm) 3.334 x 10-30
Temperature
1. Defenition
a. Temperature is a noun which determines the circulation of heat
b. Two substances is said have the same temperature, if there is not the circulation of heat although
both of them have contact each other.
2. Dimension
a. Temperature is an independent dimension which have not relation with mass, long and time.
b. The unit in SI = Kelvin
7
1
c. 1 K is defenited as times of temperature whereas the waters are in the equilibrium with
273.16
the ice in the pressure from water vapor.
d. This point is mentioned as three phase point or triple point, 0.01 K above the freezing point of
water
e. In the triple point of water, ice and air are in the equilibrium of atmosphere standard pressure.
f. 0 K is mentioned the absolute zero temperature
g. Kelvin scale is mentioned the absolute temperature scale
h. Scale:
1) The except of Kelvin scale, we know celcius (C) and fahrenheit (F) scale.
2) Boiling point, freezing point in Kelvin, Celcius and Fahrenheit scale can be seen from picture
below :
a. Kelvin to Celcius
(373.15 – 273.15) K : (100 – 0) OC
100 K : 100 OC
1K
So, r = 1 K : 1 OC or o
1C
o 273,15 T o 273 K
T t t
K C C
o 273,15 t 273 o C
t t T
o
C C K
b. Celcius to Fahrenheit
Example
8
1. Ethyl alcohol (a) boils at 78,5 OC and (b) freezes at -117 OC in the pressure is 1 atm. Converse these
temperatures into Fahrenheit scale!
Answer:
a. t = 78oC
9 t 9
t 32 o F 78,5 32 o F 173 o F
5 F 5
b. t = -117 Co
9 t 9
t 32 o F 117 32 o F 179 o F
5 F 5
2. The Hg (a) boils at 675 OF and (b) freezes at -38 OF in the pressure is 1 atm. Converse these
temperatures into Celcius scale!
a. t = 675 oF
5 t 5
t 32 o C 675 32o C 357o C
9 F 9
b. t = -38 F o
5 t
t 32 oC 38 32 oC 38,9o C
5
9 F 9
The units given for a measured quantity are a very important part of that measurement and must
be included in all calculations. Two times a 14 m length is 28 m, not 28. This calculation must be written
2 x 14 m = 28 km
Units in calculations are treated exactly like algebraic factors. If you are calculating the area of
rectange 2 m on one side and 6 m on the other, the calculation should be written
2 m x 6 m = 12 m2
60 seonds 1 minute
1 or 1
1 minute 60 seconds
9
Each of these expression is a conversion factors. Because conversion factors like those aboveequal to 1,
they can be multiplied by other factors in equations without changing the validity of the equations. The
answer will just be in different units. When using conversion factors, set the problem up as follow:
For example, to find out how many Joule there are in 5.5 Calorie, we must carry out the unit convertion
from Joule to Calorie.
4,184 Joule
quantity suoght = 5,5 kalori x
1 kalori
= 23,012 Joule
2. At the STP in a clossed vessel exsisted of 5,6 liters of nitrogen gas. Stated the gas in gram unit.
Based on definition:
a. 1 mole of gas at the STP = 22,4 liter
b. The mass of 1 mole of nitrogen gas = 28 gram
The quantity given are are 5,6 liter of nitrogen gas
The convertion factor
The convertion pathway: liter → mole → gram
1 mole 22,4 liters
a. 1 or 1 chose the liter as denominator
22,4 liters 1 mole
1 mole 28 grams
b. 1 or 1 chose the mole as denominator
28 grams 1 mole
The quantity sought is Joule is gram of nitrogen gas
Use the factor-label method:
[quantity suoght = quantity given x conversion factor]
1 mol 28 gram
quantity suoght = 5,6 liter X X
22,4 liter 1 mol
= 7 gram
3. Known:
A nuclear reaction: 37 Li 11H 24He 24He
10
Mass defect: 0,0186 amu
1amu 1,6605x10 27 kg
1eV 1,6022x10 19 Joule
Calculate the energy released in this reaction (in Mev)
Solution :
mass defect 0,0186 amu
1,6605x10 27 kg
0,0186 amu x
1 amu
3,08853x10 29 kg
3,09 x10 29 kg
m c 2
3,09 x10 29 kg (3,00 x10 8 ms 1 ) 2
27,8 x10 13 kgm 2 s 2
27,8 x10 13 Joule
1ev
27,8 x10 13 Joule x
1,6022x10 19 Joule
17,4 x10 6 eV
17,4 MeV
1,57 x 105 kg
157 tons
11
PROBLEMS
1. As known that capasity of electron = 1,602 x 10-19 C (Millikan) and e/m =1,76 x 108 C/gr (Thomson).
Calculate the mass of electron in : (a) gram; (b) kg!
2. The Bohr atomic radius fork n=1 is 0,52917 x 10-8 cm, so:
a. = ...... m
b. = ...... nm
c. = ...... Angstrom
3. The wavelengths of X rays characteristic of certain metallic targets are (a)copper, 1.537395 A; (b) chromium,
2.28503 A; (c) molybdenum, 0.70783 A: (d) tungsten, 0.20862 A. Express these wavelengths in centimeters.
4. The longest and shortest visible waves of the spectrum have wavelengths of
0.000067 cm and 0.000037 cm. Convert these values to (a) angstroms, and (b)
Nanometers
5. The wavelengths of X rays characteristic of certain metallic targets are (a)copper, 1.537395 A; (b) chromium,
2.28503 A; (c) molybdenum, 0.70783 A; (d) tungsten, 0.20862 A. Express these wavelengths in centimeters
6. Distinguish between temperature and heat and state the SI units for each.
7. Give the namesof the two temperature scales that are commonly used in chemistry Convert
References
Department of Chemistry, The University of North Carolina, Mathematic in chemistry, http://net.chem. unc. Edu/
Harry, G. Hedit. 1990. Mathematic in chemistry. Prentice Hall. Englewood Cliffs. New Jersey.
Hirst, D. M. 1975. Mathematic for Chemistry. The Macmillan Press. LTD. London.
Upu, Hamzah, English for Teaching Mathematic and Science, Pustaka Ramadhan, Bandung, 2006
R. Nelson Smith & Conway Pierce, 1980, Solving general chemistry problems, San Francisco, W. H. FREEMAN AND
COMPANY
Fritz V¨ogtle, J. F. Stoddart and M. Shibasaki, 2000, Stimulating Concepts in Chemistry. Weinheim, WILEY-VCH
Verlag GmbH
J. M. T. Thompson, 2001, Visions of the future : chemistry and life science, United Kingdom, Cambridge
James R. Barrante, 1998. Applied Mathematic for Physical chemistry. Prentice-Hall, Inc. New Jersey. United States of
America.
Williams, Linda D, 2003, Chemistry Demystified, New York, McGraw-Hill Companies, Inc.
Thomas E. Price, 2001, The Trigonometric functions, teprice@uakron.edu.
Gibbs, J. Williard, 1900, Vectors and dyadic, http//www.bgcarlisle.com/murphnotes
Richard Earl, 2004, Complex Numbers, Mathematical Institute, Oxford
12
Date amandement made in:
January 2021
15. If 1 ml of water is spread out as a film 3 A thick, what area in square meters will it cover?
16. The area of a powdered material is 100 trr/g. What volume of water is required to form a film 10 A
thick over the surface?
17. An agate marble is placed in a graduated cylinder containing 35.0 ml of water. After the marble is added,
the surface of the water stands at 37.5 ml. Find the diameter and surface area of the marble.
18. (a) If there are 6.02 x 1023 molecules in 18 ml of water, what is the volume occupied by one molecule?
(b) If the molecules were little spheres, what would be the radius of a water molecule? (Give the answer
in angstroms.)
19. If you should decide to establish a new temperature scale based on the assumptions that the melting point
of mercury (-38.9°C) is 0°M and the boiling point of mercury (356.9°C) is 100°M, what would be (a)
the boiling point of water in degrees M, and (b) the temperature of absolute zero in degrees M?
20. It has been found that the percentage of gold in sea water is 2.5 x 10~'°. How many tons of sea water
would have to be processed in order to obtain 1.0 g of gold?
21. A solution contains 5.0 g of sodium hydroxide per liter. How many grams will be contained in 50 ml?
22. A solution contains 40 g of potassium nitrate per liter. How many milliliters of this solution will be
needed in order to get 8.0 g of potassium nitrate?
23. The neck of a volumetric flask has an internal diameter of 12 mm. The usual practice is to fill a volumetric
flask until the liquid level (meniscus) comes just to the mark on the neck. If by error one drop (0.050
ml) too much is added, at how many millimeters above the mark on the neck will the meniscus stand?
Assume a plane (not curved) meniscus.
13
MODUL 2
LEARNING ACTIVITY 1
3) Learning materials
The learning materials that will be delivered in learning activities 2 in module 1 of this Mathematical
Chemistry course are:
a. The real numbers
b. Measurement and Significant Numbers
c. Rounding
d. Scientific notation
4) Materialas Explanation
14
Closure
If you operated on any two real numbers A and B with +, -, ×, or /, you get a real number.
Commutativity
A + B = B + A and A × B = B × A
Associativity
(A + B) + C = A + (B + C) and (A × B) × C = A × (B × C)
Inverse
A + -A = 0, A × (1/A) = 1
Identity
A + 0 = A, A × 1 = A
Distributivity
A × (B + C) = (A × B) + (A × C)
These properties are useful to review and keep in mind because they help you simplify more complex
calculations.
Order of Operations
In chemistry, as in the other sciences, we will encounter many problems in which the solution
involves a series of calculations. When doing more than one operation we need follow a set of rules
regarding which calculations to do first. For example, what is the "right" answer to
3+2×6=?
Should we go "left to right" and just do the + first and get 30, or do we do the × first and get 15? Well,
in order to avoid confusion and get the correct answer, mathematicians decided long ago that all
calculations should be done in the same order. You may have learned the order of operations as being:
Please Excuse My Dear Aunt Sally! where the words stand for Parentheses, Exponentiation, Multiplication
or Division, Addition or Subtraction. So what is the correct answer for our problem? The order of
operations would say that in the absence of parentheses, you would multiply 2×6 first, then add 3, so the
result should be 15.
15
accurate accurate
precise
(the average is accurate) and
not accurate
not precise precise
In any measurement, the number of significant figures is critical. The number of significant figures
is the number of digits believed to be correct by the person doing the measuring. It includes one
estimated digit. So, does the concept of significant figures deal with precision or accuracy? I'll answer
this question after you peruse the next example.
Let's look at an example where significant figures is important: measuring volume in the laboratory. This
can be done in many ways: using
Which glassware would give you the most precise volume measurement? Let's figure out the volume for
each one and its associated error. This will give us the number of figures that are significant. Recall: the
number of significant figures includes one estimated digit.
A rule of thumb: read the volume to 1/10 or 0.1 of the smallest division. (This rule applies to any
measurement.) This means that the error in reading (called the reading error) is 1/10 or 0.1 of the
smallest division on the glassware. If you are less sure of yourself, you can read to 1/5 or 0.2 of the
smallest division.
16
Graduated First, note that the surface of the
Cylinder liquid is curved. This is called the
meniscus. This phenomenon is caused
by the fact that water molecules are
more attracted to glass than to each
other (adhesive forces are stronger
than cohesive forces). When we read
the volume, we read it at the
BOTTOM of the meniscus.
Look in the textbook for a
picture of a graduated The smallest division of this
cylinder. graduated cylinder is 1 mL.
Therefore, our reading error will be
0.1 mL or 1/10 of the smallest
division. An appropriate reading of
the volume is 36.5 0.1 mL. An
equally precise value would be 36.6
mL or 36.4 mL.
Conclusion: The number of significant figures is directly linked to a measurement. If a person needed
only a rough estimate of volume, the beaker volume is satisfactory (2 significant figures), otherwise one
should use the graduated cylinder (3 significant figures) or better yet, the buret (4 significant figures).
17
So, does the concept of significant figures deal with precision or accuracy? Hopefully, you can
see that it really deals with precision only. Consider measuring the length of a metal rod several times
with a ruler. You will get essentially the same measurement over and over again with a small reading
error equal to about 1/10 of the smallest division on the ruler. You have determined the length with high
precision. However, you don't know if the ruler was accurate to begin with. Perhaps it was a plastic ruler
left in the hot Texas sun and was stretched. You don't know the accuracy of your measuring device unless
you calibrate it, i.e. compare it against a ruler you knew was accurate. Note: in the laboratory, a good
analytical chemist always calibrates her volumetric glassware before using it by weighing a known volume
of liquid dispensed from the glassware. By dividing the mass of the liquid by its density, she can determine
the actual volume and hence the accuracy of the glassware.
5 In numbers less than one and greater then negative one, the zero to the 0.8 g 1
left of the decimal is never significant. It is there to make sure the
decimal point is not overlooked.
6 All zeros to the right of decimal point and to the right of a nonzero 8.0 dm 2
digit are significant. 18.40 g 4
35.000 l 5
1.60 sec 3
1. For multiplication or division, the product or quotient should not have more significant figures
than are present in the least precise factor in the calculation. For example:
21.95
= 1.347452425
3.62X 4.5
The least precise factor (i.e., the one with the fewest number of significant figures) is the value 4.5,
which contain two significant figures. The answer, therefore, should contain no more than two
significant figures and should be rounded to 1.3.
18
2. For addition or subtraction, the amount of uncertainty in a sum or difference will be at least as
large as the largest uncertainty in any of the term involved in the calculation.
For example:
4.371 m
+302.5 m
306.871 (before rounding)
The first quantity, 4.371 m, has an uncertainty of ± 0.001 m, the second an uncertainty of ± 0.1 m.
When we add this quantity, we expect the answer to be uncertain by at least ± 0.1 m, so we must
round the answer in the case to the nearest tenth, is should be reported as 306.9 m.
C. Rounding
Another issue we need to deal with when we perform operations is how to state the answer. For
example, if we are dividing a 20 centimeter wire into 3 equal pieces, we would divide 20 by 3 to get the
length of each piece. If we took the time to work this division out by hand -- ack! -- we would get 20 / 3
= 6.666666666666666666......... The 6 repeats forever. How do we report this number? We round
to some usually pre-determined number of digits or decimal places. By "digits" we mean the total number
of numbers both left and right of the decimal point. By "decimal places" we specifically refer to the
number of numbers to the right of the decimal point. For comparison, let's try rounding this number to
2 decimal places -- two numbers to the right of the point. To round, look at the digit after the one of
interest -- in this case the third decimal place -- and use the rule:
if the digit is 0, 1, 2, 3 or 4 round down if the digit is 5, 6, 7, 8 or 9 round up In our
example: 6.666666666666..... the next digit is 6 so we round up, giving 6.67 as the desired answer.
If instead we had been asked to round the number 20/3 to 2 digits the answer would have been 6.7 (two
digits, one of which is a "decimal place"). Sometimes rounding is the result of an approximation. If you
had 101 or 98 meters of some wire, in each case you would have "about 100 meters."
We will round many of our answers in science because the numbers will often be reporting
measurements. Numbers representing measurements are only as accurate as the device used for measuring.
For example, we could use a standard meter stick marked off in centimeters to measure the length of a
wire as 15 cm. If sometime later we cut the wire in pieces, reporting the size of a piece of the wire to
nine or ten decimal places would not make sense. You may encounter instructions in labs or in problem
sets or on exams which ask you to round a measurement or result to the "nearest cm" or "nearest mL"
or "nearest second". We'll look more at these accuracy issues in the section "Numbers in Science."
One other operation which you may or may not be familiar with is often used in chemistry is
absolute value. The "absolute value" of a number is sometimes used instead of the number itself. Absolute
value is represented as a pair of upright lines around whatever expression or number is supposed to be
treated that way. The absolute value of a number expresses its distance from zero, regardless of sign. So,
the absolute value of -20 is 20, and the absolute value of 19 is 19. Basically, all numbers become positive
but do not change value. Most calculators will take an absolute value, usually called abs (A).
Notes on Rounding
a. When rounding off numbers to a certain number of significant figures, do so to the nearest value.
1) example: Round to 3 significant figures: 2.3467 x 104 (Answer: 2.35 x 104)
2) example: Round to 2 significant figures: 1.612 x 103 (Answer: 1.6 x 103)
b. What happens if there is a 5? There is an arbitrary rule:
1) If the number before the 5 is odd, round up.
2) If the number before the 5 is even, let it be.
The justification for this is that in the course of a series of many calculations, any rounding
errors will be averaged out.
19
3) example: Round to 2 significant figures: 2.35 x 102 (Answer: 2.4 x 102)
4) example: Round to 2 significant figures: 2.45 x 102 (Answer: 2.4 x 102)
5) Of course, if we round to 2 significant figures: 2.451 x 102, the answer is definitely 2.5 x 102
since 2.451 x 102 is closer to 2.5 x 102 than 2.4 x 102.
Try It Out
For this section, you really should be able to work all of these problems correctly without the use
of a scientific calculator. We suggest you try working all the problems -- step-by-step -- using pencil and
paper to record your steps. Some useful hints and ideas are included in the solutions. When you have
finished each exercise problem, type the operations into your calculator exactly as written for practice,
and compare your answers.
D. Scientific Notation
Scientific notation is the way that scientists easily handle very large numbers or very small
numbers. For example, instead of writing 0.0000000056, we write 5.6 x 10-9. So, how does this work?
We can think of 5.6 x 10-9 as the product of two numbers: 5.6 (the digit term) and 10-9 (the exponential
term).
Here are some examples of scientific notation.
20
10000 = 1 x 104 24327 = 2.4327 x 104
1000 = 1 x 103 7354 = 7.354 x 103
100 = 1 x 102 482 = 4.82 x 102
10 = 1 x 101 89 = 8.9 x 101 (not usually done)
1 = 100
1/10 = 0.1 = 1 x 10-1 0.32 = 3.2 x 10-1 (not usually done)
1/100 = 0.01 = 1 x 10-2 0.053 = 5.3 x 10-2
1/1000 = 0.001 = 1 x 10-3 0.0078 = 7.8 x 10-3
1/10000 = 0.0001 = 1 x 10-4 0.00044 = 4.4 x 10-4
As you can see, the exponent of 10 is the number of places the decimal point must be shifted to
give the number in long form. A positive exponent shows that the decimal point is shifted that number
of places to the right. A negative exponent shows that the decimal point is shifted that number of places
to the left. In scientific notation, the digit term indicates the number of significant figures in the number.
The exponential term only places the decimal point. As an example, 46600000 = 4.66 x 107. This number
only has 3 significant figures. The zeros are not significant; they are only holding a place. As another
example, 0.00053 = 5.3 x 10-4. This number has 2 significant figures. The zeros are only place holders.
21
Example: (6.4x 06)/(8.9x102)=(6.4)/(8.9)x10(6-2)=0.719 x 104 = 7.2 x 103
(to 2 significant figures)
Example:(3.2x103)/(5.7x10-2)=(3.2)/(5.7)x103-(-2)=0.561x105=5.6x 104
(to 2 significant figures)
Powers of Exponentials:
The digit term is raised to the indicated power and the exponent is multiplied by the number that
indicates the power.
Example: (2.4 x 104)3 = (2.4)3 x 10(4x3) = 13.824 x 1012 = 1.4 x 1013
(to 2 significant figures)
Example: (6.53 x 10-3)2 = (6.53)2 x 10(-3)x2 = 42.64 x 10-6 = 4.26 x 10-5
(to 3 significant figures)
Roots of Exponentials:
Change the exponent if necessary so that the number is divisible by the root. Remember that
taking the square root is the same as raising the number to the one-half power.
Example:
3 7.3 x 10 8 3 73 x 10 9 3 73 x 3 10 9 1.9 x 10 9
QUIZ:
Question 1
Write in scientific notation: 0.000467 and 32000000
Question 2
Express 5.43 x 10-3 as a number.
Question 3
(4.5 x 10-14) x (5.2 x 103) = ?
Question 4
(6.1 x 105)/(1.2 x 10-3) = ?
Question 5
(3.74 x 10-3)4 = ?
Question 6
The fifth root of 7.20 x 1022 = ?
Answers:
2 significant figures) (4) 5.1 x 108 (2 significant figures) (5) 1.96 x 10-10 (3 significant figures) (6)
3.73 x 104 (3 significant figures)
E. Exact Numbers
In some calculation, we use numbers that come from definition (such as 3 ft = 1 yd or 12 in.
= 1 ft) or that are the result of direct count (such as number of people in a room). These numbers
22
are called exact numbers because they contain no uncertainty. For example, suppose we wanted to
convert the length 4.27 yd into feet. By the factor-labeled method we have:
3 ft
4.27 yd X = 12.8 ft
1 yd
STEP 1. Analyze
Read the problem carefully at least twice. Not any important descriptive term that add
meaning to the problem.
STEP 2. Plan
Your plan for solving a problem should show how the information given in the problem is used
to find a solution.
STEP 3. Compute
This step involves substituting the data and conversion factor into your plan from step 2.
STEP 4. Always look back at your answer to determine if it is reasonable.
Step 4. Evaluate
An answer of about 107 seems reasonable (300 X 20 x 60 x 60 is approximately 2 X 107).
Units have canceled to give second, the desire unit. Note that each of conversion factor
is based upon a definition and therefore the answer is not limited in number of significant
number.
PROBLEMS
1. A student records volume readings of 8.42 ml, 8.41 ml, and 6.40 ml. What can you say about the
precision of the student reading?
2. How many significant numbers are indicated in each of the following measurement? (a) 49.35 g
(b) 104.07cm
(c) 0.082 kl
23
3. Round off 785.6553 cm to the indicated number of significant numbers: (a) 5, (b) 3, (c) 2, (d) 4, (e)
1
4. Perform each of the following calculations and express all answers in the correct number of significant
number
(a) 430.62 m + 6.1 m + 10.5300 m
(b) 750 cm x 24.32 cm
(c) 804.00 g / 20 cm3
5. Write each of the following numbers in scientific notation: (a) 45000 (b) 0.0000027, (c) 301 x 1021+
6. Perform the following calculations. Express all answers with the correct number of significant
numbers and in scientific notation:
(a) (6.8 x 105 g) - (3.1 x 104 g)
(b) (7.32 x 104dm) x (4.1 x 10-10)
(c) (9.05 x 10-8 g) / (5.3 x 10-3 ml)
7. State the number of significant figures in each of the following measurements.
(a) 374
(b) 0.0374
(c) 3074
(d) 0.0030740
(e) 3740
(f) 3.74 x 105
(g) 75 million
(h) 21 thousand
(i) 6 thousandths
(j) 2 hundredths.
8. Express the answer in each of the following calculations to the proper number of significant figures
(assume that the numbers represent measurements).
(a) 3.196 + 0.0825 + 12.32 + 0.0013
(b) 721.56 - 0.394
(c) 525.3 + 326.0 + 127.12 + 330.0
(d) 5.23 x 10-2 + 6.01 x 10-3 + 8 x 10-3 + 3.273 x 10-2
3.21x 432x 650
(e)
563
8.57 x 10 2 x 6.02 x 10 23 x 2.543361
(f)
361x 907
4.265x (3081)2 x 8.275x 10 8
(g)
0.9820 x 1.0035
6.327 x 10 3 x 7.056 x 10 7 x 9.0038x 10 9
(h)
6.022 x 1023 x 27.00 x 10 2
9. Water analysts often report trace impurities in water as "parts per million'' - that is, parts by weight
of impurity per million parts by weight of water. In an analysis, 2.5 liters of a water sample are
evaporated to a very small volume in a platinum dish; the residue is treated with a sensitive reagent
that develops a red color, whose intensity is a measure of the amount of nickel present. The amount
of nickel present is found to be 0.41 mg. How many parts per millionof nickel were present in the
original sample of water? (Assume that the density of water is 1 g/ml.)
10. State the precision, both in parts per thousand and in percentage, with which each of the following
measurements is made.
(a) 578 with a standard deviation of 2.0
(b) 0.0578 with a standard deviation of 0.00020
24
(c) 5078 with a standard deviation of 2.0
(d) 0.005078 with a standard deviation of 0.000030
(e) 0.0050780 with a standard deviation of 0.00000010
(f) 5078 with a standard deviation of 50
(g) 5.78 x 10' with a standard deviation of 2.0 x 10'
11. A radioactive sample shows the following counts for one-minute intervals: 2642; 2650; 2649; 2641;
2641; 2637; 2651; 2636. Find the average deviation, the standard deviation, and the 90% confidence
interval for a single value and for the mean.
12. A student wishes to calibrate a pipet by weighing the water it delivers. A succession of such
measurements gives the following weights: 5.013 g; 5.023 g; 5.017 g; 5.019 g; 5.010 g; 5.018 g;
5.021 g. Calculate the average deviation and the 95% confidence interval for a single value.
13. In determining the viscosity of a liquid by measuring the time required for 5.00 ml of the liquid to
pass through a capillary, a student records the following periods: 3 min 35.2 sec; 3 min 34.8 sec; 3
min 35.5 sec; 3 min 35.6 sec; 3 min 34.9 sec; 3 mm 35.3 sec; 3 min 35.2 sec. Find the average
deviation and the 70% confidence interval for a single value, expressing both as a percentage.
14. A student wishes to determine the mole weight of a gas by measuring the time required for a given
amount of the gas to escape through a pinhole. He observes the following time intervals: 97.2 sec;
96.6 sec; 96.5 sec: 97.4 sec; 97.6 sec; 97.1 sec; 96.9 sec; 96.4 sec; 97.3 sec; 97.0 sec. Find the
average deviation and the 99% confidence interval for the mean, expressing both in parts per
thousand.
15. The height (h) to which a liquid will rise in a capillary tube is determined by the force of gravity (g),
the radius (/-) of the tube, and the surface tension (y) and density (d) of the liquid at the temperature
of the experiment. The relationship is y =hdgr. A student decides to determine the radius of a capillary
References
Department of Chemistry, The University of North Carolina, Mathematic in chemistry, http://net.chem. unc. Edu/
Harry, G. Hedit. 1990. Mathematic in chemistry. Prentice Hall. Englewood Cliffs. New Jersey.
Hirst, D. M. 1975. Mathematic for Chemistry. The Macmillan Press. LTD. London.
Upu, Hamzah, English for Teaching Mathematic and Science, Pustaka Ramadhan, Bandung, 2006
R. Nelson Smith & Conway Pierce, 1980, Solving general chemistry problems, San Francisco, W. H. FREEMAN AND
COMPANY
Fritz V¨ogtle, J. F. Stoddart and M. Shibasaki, 2000, Stimulating Concepts in Chemistry. Weinheim, WILEY-VCH
Verlag GmbH
J. M. T. Thompson, 2001, Visions of the future : chemistry and life science, United Kingdom, Cambridge
James R. Barrante, 1998. Applied Mathematic for Physical chemistry. Prentice-Hall, Inc. New Jersey. United States of
America.
Williams, Linda D, 2003, Chemistry Demystified, New York, McGraw-Hill Companies, Inc.
Thomas E. Price, 2001, The Trigonometric functions, teprice@uakron.edu.
Gibbs, J. Williard, 1900, Vectors and dyadic, http//www.bgcarlisle.com/murphnotes
Richard Earl, 2004, Complex Numbers, Mathematical Institute, Oxford
25
MODUL 3
LEARNING ACTIVITY 1
Dear Students, Module 3 Learning Activity 1 discusses linear and non-linear equations. This material is
applied to several chemical materials which involve one or more variables in solving the problem. This
material will be described in detail so that it can facilitate you in your efforts to achieve the ability to apply
various mathematical foundations in solving problems in chemical materials.
4. Materials Explanation
A. Linear Equation
1. Definition
Linear equation: equation with two or more variables in which the highest power is one.
Equation form: aX + bY + m = 0 (implicit form)
Y = (-a/b)X – (-c/b) (explicit form)
The linier function is the simplest function which its graph is the straight line.
y mx b .
Gradient (slope) from a straight line g expressed with m:
Y componens
m=
X components
y
g
26
x
y
m = = tan α
x
If a straight line passed two points: A(x1,y1) and B(x2,y2):
y -y
mA-B = Slope 2 1 is always mentioned as gradient
x 2 - x1
No matter how much the value of (x1, y1) and (x2, y2) in line, the linier slope = y mx b is written by
the equation below:
( mx2 b) ( mx1 b)
Slope m
x2 x1
The other important concept is intercept. The intercept in y axle is the value of y if the value of
x = 0 and b. So, in y mx b , m is the slope and b is the intercept in the axle of y.
Sample Problem. 1
Change the form of equation to the explicit form: x + 2y – 1 = 0 and find the slope
Solution
The explicit form of equation: 2y = -x + 1
y = -1/2 x + ½
y = -1/2
so, the slope is -1/2
The linier graph is very important in chemical data analysis because the linier graph is characterized by
two parametres, b and m. This case can make us easily to determine the points in linier graph. It means
that, it is possible to convert the linier function into graph forms. For example, the equilibrium constant
(K) with T temperature is given by the equation :
H O
ln K C
RT
H O is the reaction calor which is independent to T, R is the gas constant and C is the constant. The
relation K to T will produce the curve which is difficult to be analyzed. However, if ln K is changed into
O
logarithm form, log K (2,303 log K) to 1/T, so it will be gotten the linier line in slope of , so H O
R
can be founded as
27
Substance Specific Heat Substance Specific Heat
(J/(g.C0) (J/(g.C0)
Water (liquid) 4.184 Carbon, graphite 0.720
Water (ice) 2.092 Carbon, diamond 0.502
Water (steam) 2.013 Iron 0.444
Ethyl alcohol 2.452 Copper 0.385
Acetic acid 2.048 Silver 0.237
Sugar 1.250 Mercury 0.139
Aluminum 0.899 Gold 0.129
Salt (sodium chloride) 0.860 Lead 0.129
The specific heat of a substance can be determined by measuring the amount of heat energy gained
or lost by a given mass that undergoes a measured temperature change. The equation is
heat lost or gained ( J or cal )
Specific heat = mass ( g ) x change in temperatur e ( C )
q
Cp =
m x t
Sample Problem. 2
A 4.0 g sample of glass was heated from 10 C to 41oC, and was found to have absorbed 32 J.
(a) What is the specific heat (Cp) of the glass is found from the equation above?
(b) How much heat did the same glass sample gain when it was heated from the equation above?
Solution
q ( J)
(a) The specific heat (Cp) of the glasses found from the equation above:Cp = =
m( g ) x t 0 C
32 ( J )
= 0.2 J/ (g Error! Not a valid link.)
4.2 ( g ) x 40 0 C
(b) The rearranged specific-heat equation is used to find the heat gained when the glass was heated
further.q = m x Cp x t
3. Proportional Relationship
Solving quantitative problems often involves using proportional relationship between variable. A
variable is a quantity that can change in value. For example, temperature is a variable.
a. Direct proportion
Two variables are directly proportional to each other if dividing one by the other gives a constant ratio.
The general equation for a direct proportion between two variables are:
y
k
x
Where x is one variable, y is other variable, and constant value of the ratio, known as the proportionality
constant, is represented by k. A direct proportion can also be represented as y = k x For example,
mass
density or mass density x volume
volume
b. Inverse proportion
28
Two variables are inversely proportional to each other if their product has a constant value. The general
equation for an inverse proportion between two variables are:
k
x y k or y
x
For example,
dis tan ce
speed x time dis tan ce or time
speed
The key to solving simple algebraic equations containing a single unknown (e.g. x + 6 = 10) is
to realize that the equation is an equality. As long as you do the same mathematical operation (e.g. add a
constant, subtract a constant, multiply by a constant, and divide by a constant) to both sides of the
equation, the equality is still an equality. This includes squaring both sides of the equation or taking the
square root of both sides of the equation.
Fundamental Laws:
• Distributive Law: 3(x + 2) = 3x + (3)(2) = 3x + 6
• Associative Law: 4x - 7x = x(4 - 7) = -3x
Example 1 To solve for x, it is necessary to
subtract 6 from both sides of the
equation
Example 2 To solve for x, you need to add 6
to both sides of the equation and
then divide both sides by 2.
29
Example 4 This process is called "cross-
(alternative) multiplying." This entails
multiplying the numerator of one
side of the equality by the
denominator of the other side of
the equality. When this is done,
the very same line 3 results. The
rest of the problem is done
identically.
Sample Problem. 3
Balance: FeS2 + O2 → Fe2O3 + SO2
We start with an algebraic approach, writing the unknown integral coefficients as a, b, c and d:
aFeS2 + bO2 → cFe2O3 + dSO2
Dalton's rule leads to conservation relations for Fe, S and O:
30
Fe:a = 2c (i)
S:2a = d (ii)
O:2b = 3c + 2d (iii)
Assume a =1, so
c = a/2 = ½ d = 2a = 2
2b = 3c + 2d b = 3/2c + d = 3/2(1/2) + 2 = 11/4, so
a = 1; b = 11/4; c = ½; d = 2 or a = 4; b = 11; c = 2; d = 8
The balance equation:
4FeS2 + 11O2 → 2Fe2O3 + 8SO2
Sample Problem. 4
Balance: KMnO4 + KI + H2O → MnO2 + I2 + KOH
We start with an algebraic approach, writing the unknown integral coefficients as a, b, c, d, e, and
f:
aKMnO4 + bKI + cH2O → dMnO2 + eI2 + fKOH
Dalton's rule leads to conservation relations for K, Mn, O, I, and H:
K: a + b = f (i)
Mn: a = d (ii)
O:4a + c = 2d + f (iii)
I: b = 2e (iv)
H: 2c = f (v)
Assume: a = 1, so
d=1
from equation (iii):
4a + c = 2d + f
4+c =2+f
2 +c =f (vi)
from equations (v) and (vi):
2c = f and 2 + c = f , so 2c = 2 + c c = 2 and f = 4
from equation (i):
a+b=f b=f–a =4–1=3
from equation (iv):
b = 2e e = b/2 = 3/2, so
a = 1, b = 3, c = 2, d = 1, e = 3/2, and f = 4 or
a = 2, b = 6, c = 4, d = 2, e = 3 and f = 8
The balance equation:
2KMnO4 + 6KI + 4H2O → 2MnO2 + 3I2 + 8KOH
1
V k or pV = k
p
where the k is constant, its value depending only on the quantity of gas and the temperature. If the
pressure of a given gas sample at constant temperature change, but the quantity pressure times volume
31
will remain equal to the same of k. Using P1 and V1 to indicate initial conditions and P2 and V2 to indicate
new conditions,
P1V1 = k P2V2 = k
Combining these two relationships give the following very useful statement of Boyle’s law:
P1V1 = P2V2
where k is constant, its value depending only on the quantity of gas and the temperature and T is the
Kelvin temperature. For the ratio V/T for any set of volume-temperature values (where mass is known),
k is always the same. The relationship thus obtained is a useful expression of Charles’ law that can be
applied to most volume-temperature problems involving gases.
V1 V2
T1 T2
P
P = kT or k
T
where k is constant that depends on the volume of the sample and the quantity of the gas, and T is the
temperature in Kelvin. For given mass of gas at constant volume, the ratio P/T is the same for any set of
pressure-temperature values. Unknown values can be found using this relationship.
P1 P2
T1 T2
when values are known for three of the four quantities involved.
32
PV
k
T
where k is constant and depends on the amount of gas. The combined gas law can also be written as
PV1 PV2
T1 T2
8. Avogadro’s Principle
Avogadro’s Principle, states that equals volumes of gases at the same temperature and pressure
contain equal numbers of molecules.
Avogadro’s Principle indicates that gas volume is directly proportional to the number of moles of gas (at
constant temperature and pressure).
V = kn
Where n is number of mol of gas and k is a constant.
2H2(g) + O2(g) → 2H2O(g)
2 molecule 1 molecule 2 molecules
2 moles 1 mole 2 moles
1 volume 1 volume 2 volumes
Experiments show that one mole of any gas has the same volume at STP as one mole of any other gas.
This volume, known as the standard molar volume gas, is the volume occupied by one mole of a gas at
STP, and has been found to be 22.41410L.
33
1
V xT x n
p
If we substitute R for k and rearrange the variable, we obtain the equation for ideal gas law:
nRT
V or PV nRT
p
y = ax2 + bx + c
This function graph is parabola form. If x is the real number, the cross point of curve with the axle of x (y
= 0) can be stated from the eqaution below :
ax2 + bx + c = 0
The equation above is mentioned the square equation. The values of x are mentioned as the completion
of the square equation or the square roots equation which is symbolized x1 dan x2.
b b 2 4ac
x1,2 =
2a 2a
Sample Problem. 5
Determine the square roots equation of x2-5x+6=0 !
The Completion :
b b 2 4ac
x1,2 =
2a 2a
5 ( 5)2 4.1.6
=
2 2.1
= 2 12 2 12
X1 = 2 12 2 12 3
X2 = 2 12 2 12 2
The graph function from f = (x, y) y = x2-5x+6 can be mentioned as :
1. Determining the top point :
b b 2 4ac
, = 2 12 , 1 4
2a 2a
2. Determining the symmetrical axle
b
= 2 12
2a
3. Determining the points which is passed through
34
1. The cut point with the axle of x, y=0
x1 = 3; (3,0)
x2 = 2; (2,0)
2. The cross point wtih the axle of y, x = 0
y = 6 the point which is passed through = (0,6)
3. The other points can be made into table below :
x 0 1 2 3 4 5 6
y 6 2 0 0 2 6 12
The explanation about the slope of the square curve is explained in the next chapter.
Sample Problem. 6
For the reaction ; H2(g) + I2(g) 2HI(g) at the temperatute 458oC the Kc is 49. In a
experimen: 2 mol of H2 added with 2 mol of I2 and 4 mol of HI at a room with volume 10 Liter
and temperature 458oC. Determine the mol composition of compound mixture at the balance
condition!
Solution:
If the sume of mol H2 be react = x mol, so
H2(g) + I2(g) 2HI(g)
Mol of reactan: 2 2 4
React : -x -x 2x
Balanced : (2 - x) (2 - x) (4+2x)
10 = 49
2 x 2 x
10 10
4 2x 2 = 49
2 x 2
4 2x 2 = 72
2 x 2
4 2x
= 7
2 x
7(2-x) = 4 + 2x
14 – 7x = 4 + 2x
10 = 9x
x = 1,11
The mol composition at the balance condition:
H2 = (2 – x) mol = (2 – 1,11) mol = 0,89 mol
I2 = (2 – x) mol = (2 – 1,11) mol = 0,89 mol
HI = (4 + 2x) mol = (4 + 2(1,11)) mol = 6,22 mol
35
2. Graham’s Law of Effusion or Diffusion
The rate of effusion or diffusion are governed by the velocities of gas molecules. The velocity of
a gas varies inversly with its mass. Average kinetic energy of the molecules in any gas is determined only
by the temperature and is given by ½ mv2. For two different gases, A and B, at the same temperature:
1 1
M Av A 2 M B v B2
2 2
where MA and MB represent the molar masses of gases A and B and vA and vB represent their molecular
velocities. Multiplying the equation by 2 gives
M Av A 2 M B v B2
v A2 M B
v B2 M A
vA MB
vB MA
rate effusionof A MB densityB
rateeffusion of B MA densityA
C. Iteration Method
In the case of chemistry, the the acurate fraction and root always made based on the physic
consideration. For example, if x related with a consetration, negative root is not physics (imposible) and
can be neglected. The solution and equation of the tird order or the higer order of algebaric equation (this
equation is more difficult, because it arrested sine, cosine, logarithm or exponential) will be difficult and
the aproaching method or numeric method must be used.
2.00 x
x2 = 1.00 x 10-6
3.00 x
2.00
x2 = 1.00 x 10-6
3.00
3.00
x2 = x 1.00 x 106
2.00
x = 1.22 x103
We can state that is founded by this method is small than 2.00 and 3.00 and the best aproaching.
If the quantity of x is added or subtracted to the higher quantity in the difficult equation, usually
it will be usefull in solving problems where we ingnore the small quantity. Remember that, this strategy
just for addition and substration. This case is not for multiplying and dividing.
2.00 x
x2 = 1.00 x 10-2
3.00 x
2.00
x2 = 1.00 x 10-2
3.00
36
3.00
x2 = x 1.00 x 102
2.00
x = ±1.22 x10-1 or 0.122
The number of 0.122 is smalller than 2.00 and 3.00, but it is not too small for ignoring. In this case, the
result which is more precision can be founded by iteration. We just add and substract the positive root of
the aproximately result of x ~ + 0.122 such as it is stated in the mark (…) and then determine the value
of x:
2.00 0.122
x2 = 1.00 x 10-2
3.00 0.122
x = 1.16 x 10-1
The new value can be subtituted again into the initial equation and the process is replyed:
2.00 0.116
x2 = 1.00 x 10-2
3.00 0.116
x = 1.17 x 10-1
When the value of x limit the accuratting which nedded, the iteration can be stopped. The other from
this equation is gotten by the same way if the itself procedureis started by x= -0.122.
In some cases, the iteration is foul. If we have equation:
2.00 x
x2 = 10
3.00 x
There are no special reason to believe that x must be small than 2.00 and 3.00, but if we still think like
that, we found x = ± √15 = ± 3.873 for iterative dircle will produce the equation
x2 = - 1.49
which have not the real solution. Starting with x = -3.873 will not help us because the result is
x2 = - 36.7
One way to solve this difficulties is the solve of the initial equation graphically. We plot the left
side from the equation of x and look at which one of the value will be same with 10 (right side). Firstly,
we can calculate
2.00 x
x x2
3.00 x
0 0
1 1.5
2 16
It is seen that for x = 1, the left side is smaller than 10, while for x = 2, the left side is bigger then 10.
We have to read that one of them is 10. We can show this by choosing the values of x between 1 and 2.
If the left side is smaller than 1o, the x must be added and if the value of the x is bigger than 10, x must
be subtracted.
2.00 x
x x2
3.00 x
1.5 5.25
37
1.75 9.19
1.79 10.04
1.8 10.26
Based on the way above, the x = 1.79 is near from the solution of that equation. The more value will be
founded easily by doing the next think in this type.
PROBLEMS
1. Find the gradient from the straight lines below:
a) 5y = x + 15 3) 3y = x
b) 2y = 10x + 2 4) 2y = ½ - 2
2. Change the form of equation to the explicit form:
a) (b) x + y + 1 = 0
b) 4x – 2y = 0
3. Draw the equations in problems 1 in to the Cartesian graph.
4. Find the gradient from the straight lines below and draw the equations in to the Cartesian graph:
a) x + 2y = 0
b) 4x – 2y = 0
c) x + y + 1 = 0
5. Balance the following equations:
a) C2H4(OH)2+ O2 → CO2+ H2O
b) K2O + H3PO4 → K3PO4 + H2O
c) C2H5OH + O2 → CO2 + H2O
d) Li+ H2O → LiOH + H2
e) ZnS + HNO3 → ZnSO4 + N) + H2O
f) Ba(OH)2 + AlCl3 → BaCl2+ Al(OH)3
g) KHC8H4O4 + KOH → K2C8H4O4+ H2O
h) (NH4)2Cr2O7 → N2+ Cr2O3+ H2O
6. What is volume of a piece of aluminum that has a mass of 22.5 g? the density of aluminum is 2.7
g/cm3.
7. What quantity of heat in calories is needed to increase the temperature of 35 g of copper by 7.2 0C.
8. If 1.0 L of gas at 1.0 atm is allowed to expand at constant temperature to 5.0 L, the new temperature
is…
9. A sample of oxygen collected in the laboratory occupies a volume of 150 ml when its pressure is 720
mm Hg. What volume will the gas occupy at the pressure of 750 mm Hg if the temperature remains
constant?
10. A sample of neon gas occupies a volume of 752 ml at 250C. What volume will the gas occupy at 500C
if the pressure remains constant?
11. The gaseous content in an aerosol can are under a pressure at 3.00 atm at 250C. Directions on the can
caution the user to keep the can in a place where the temperature does not exceed 520C. What would
the pressure of the gas in the aerosol can be at 520C?
12. Before a trip from Makassar to Palu, the pressure in an automobile tire is 1.9 atm at 300C. At the end
of the trip, the pressure gauge reads 1.9 atm. What is the new Celcius temperature of the air inside
the tire?
13. A helium-filled balloon has a volume at 50.0 L at 250C and 820 mm Hg. What volume will it occupy
at 650 mm Hg and 100C?
14. Compare the rates of effusion of hydrogen and oxygen at the same temperature and pressure
15. Calculate the molar mass of a gas that effuses at 1.59 times the effusion rate of carbon dioxide.
38
16. Evaluated the linear equation bellow for x!
a) 6 – 8x = 0 b) -2x - 5 = 0 c) 4x = -8
17. Evaluated the non linear equation bellow for x!
a) 4x2 + 7x - 5 = 0
b) 2x2 = -3 - 6x
3
c) 2x + = 6
x
18. Evaluated the non linear equation bellow for x!
a) 6x2 + 15x + 2 = 0
b) 4x = 5x2 - 3
1
c) + 3x = 4
2 x
19. Evaluated the non linear equation bellow for x! use x stated small method, iteraton, or grafic
method
a) x(2,00 + x)2 = 2,6 x 10-6
b) x(3,00 -7x)(2,00 + 2x) = 0,230
c) 2x3 + 3x2 + 2x = -16
20. Evaluated the non linear equation bellow for x! use x stated small method, iteraton, or grafic
method
a) x(2,00 + x)(3,00 – x)( 5,00 + 2,x) = 1,58 x 10-15
(3,00 x )(1,00 x )
b) = 0,122
2,00 x
c) 12x3 + 4x2 + 35x = 10
References
Department of Chemistry, The University of North Carolina, Mathematic in chemistry, http://net.chem. unc. Edu/
Brady, J. E. 1990. General Chemistry-Principles and structure, john Wiley & Sons. New York.
Harry, G. Hedit. 1990. Mathematic in chemistry. Prentice Hall. Englewood Cliffs. New Jersey.
Hirst, D. M. 1975. Mathematic for Chemistry. The Macmillan Press. LTD. London.
Nicholas D. Tzimopolous. et.al. 1993. Modern Chemistry. HJB.
Upu, Hamzah, English for Teaching Mathematic and Science, Pustaka Ramadhan, Bandung, 2006
Jerome L. Rosenberg & Lawrence M. Epstein, 2000, College Chemistry, Schaum's
Outline of College Chemistry, The McGraw-Hill Companies, Inc.
R. Nelson Smith & Conway Pierce, 1980, Solving general chemistry problems, San Francisco, W. H. FREEMAN AND
COMPANY
Fritz V¨ogtle, J. F. Stoddart and M. Shibasaki, 2000, Stimulating Concepts in Chemistry. Weinheim, WILEY-VCH
Verlag GmbH
J. M. T. Thompson, 2001, Visions of the future : chemistry and life science, United Kingdom, Cambridge
James R. Barrante, 1998. Applied Mathematic for Physical chemistry. Prentice-Hall, Inc. New Jersey. United States of
America.
Williams, Linda D, 2003, Chemistry Demystified, New York, McGraw-Hill Companies, Inc.
Knight Judson, 2002, Science of Everyday Things, Michigan, Gale Group
39
MODUL 4
LEARNING ACTIVITY 1
EXPONENT
Dear Students, Module 4 Learning Activity 1 discusses material on basic concepts, rules, equations, and
exponential functions. This material is very much applied to chemical materials. This material will be
described in detail so that it can facilitate you in your efforts to achieve the ability to apply various
mathematical foundations in solving problems in chemical materials.
4. Materials Explanation
The chemical calculation always is faced in exponent form. There are two categories of
exponents. They are the positive round and rational exponent. The positive round exponent is the real
exponent. Based on the development of science, we need exponents, such as zero, negative, fractional,
etc which can be categorized into irational exponent. The knowledge about the irational exponent will
make us easier to understand and to solve the problem of chemical calculation, such as chemical kinetics,
equilibrium and pH.
Exponent is the way to write the multiplying of two or more of same factors, such as
a x a a2; a x a x a a3
a x a x a x ... x a a n
n faktor
40
n = the exponent
A. Scientific Calculation
Scientific calculations are frequently handled by expressing quantities in scientific notation. Such
operations require simple manipulation of exponents. The following rules apply:
41
Mathematically, the rules of exponents can be sated in the basic formulas as:
For a, b, p and q R (R = Real), so that :
a ) a p .a q a p q
b) a p q
a p .q
ap
c) a pq , a 0
aq
d ) a.b a p .a p
p
p
a ap
e. p ,b 0
b a
1
a) ap
ap
p
q
b) a q
ap
c) q
a a
p 1
q
p
a
p
q
,n 0
a .b n 0
q q q
d. a . b
q
a a
e. q
q , n 0 and b 0
b b
1 1 1 1
p .p
a aq aq a p.q
p q
f.
Note : a0 = 1
Y
A>1
0<a<1
x
1
y
3
y = 3x f(x) = ax
f(x) = a-x
X
42
Figure 1. The graph of exponent function
The function of ax is always positive for all the value of x , so the graph is in above of x axle. The functions
of ax will cut each other if x = 0 and y =1.
[ H 2 ][ Br2 ]
k
[ HBr]2
The completion of that chemical calculation above needs the enough knowledge about the exponent
eaquation.
There are several form of equations of exponent which is always faced in chemical calculation
problems, such as the form of:
1. af(x) = aq(x)
e.g.
4 x 3)
= 2 ( x 3)
2
2( x
The completion :
a) The basis number (a) in the left side is same with the basis number (a) in the right side
b) The equation can be completed with the equation of ”left side = right side”
2( x 4 x 3) = 2 ( x 3)
2
x2 – 4x + 3 =x–3
x – 4x + 3
2
=x–3
x2 – 5x + 6 = 0
(x - 2)(x - 3) = 0
x1 = 2 ; x 2 = 3
The form of :
2. af(x) = bf(x)
e.g.
5 ( x 2 x 3 ) = 7 ( x 2 x 3)
2 2
The Completion :
The exponent number of f(x) in the left side is same with the righ side.
The completion is done by the equation exponent of f(x) = 0
5 ( x 2 x 3 ) = 7 ( x 2 x 3)
2 2
x2 – 2x - 3 =0
(x - 3)(x + 1) = 0
43
x1 = 3 ; x2 = -1
3. The Basis Number f(x) = 0
e.g
x2 – 5x + 5 = 0
The Completion :
The completion is done with ABC formula
x2 – 5x + 5 = 0
b b 2 4ac
x1,2 =
2a
5 52 4(1)(5)
x1,2 =
2(1)
5 52 4(1)(5)
x1,2 =
2(1)
The form of
4. af(x) + bq(x)
e.g.
1)
5(3 x 1) = 3( 2 x
The Completion :
The basis number and the exponent are different in the left and right side, it can be completed
with Logarithm equation. (It will be explained next)
Based on the chemical equation above, the solubility product for PmTn can be determined by the following
equation.
Basically, not all compounds have Ksp. Compounds which have Ksp are electrolytes which are difficult to
dissolve in water. Meanwhile, electrolytes which are easily soluble in water such as NaCl, Na2SO4, KOH,
HCl, and H2SO4 have no Ksp. Ksp relates to the solubility. If the solubility is symbolized by s, the
relationship of solubility and solubility product (Ksp) can be represented by using following equation.
Ksp
s m n
m x nn
m
Example.
In the saturated solution, AgCl solid forms an equilibrium with its ions as follows.
AgCl (s) Ag+ (aq) + Cl- (aq)
solubility s mole/L s mole/L s mole/L
44
Ksp AgCl = [Ag+] [Cl-] = s x s
so,
s K sp AgCl
E. Reaction Rates
For the simple reaction: A → B
The rate law for this reaction would take the form:
Rate = k [A]x
Where:
x is order of reaction
[A] is a concentration of A
If the reaction first-order, the value x would be 1, and the rate expression would be
Rate = k [A]
The result of the rate of the reaction varies directly with the concentration of A raised to the first power.
As a result, if we were to double the concentration of A from on experiment to another, we would also
to find that the rate increases by a factor of 2. We conclude, therefore, that when the reaction rate is
doubled by doubling the concentration of a reactant, the order with respect to that react is 1.
Suppose, now, that the rate law were, instead,
In this instance, a twofold increase in the concentration would cause a fourfold increase rate. Let imagine
that the initial concentration of A is a, so:
Rate = k (a)2
Now, if the concentration of A is 2a, the rate law would be
Rate = k (2a)2
= 4 k a2
Sample Problem. 1
In the reaction of 2H2 (g) + 2 NO(g) 2 H2O (g) + N2 (g) is founded from the data of the
experiment result below :
The experiment [H2] [NO] Rate (mole.L-1s-1)
mole.L -1
mole.L -1
The Completion :
The rate equation of reaction can be stated as : V=k[H2]m[NO]n
The value of m and n (reaction order) is looked for by :
Reaction order of H2 (m) is calculated from the first and the third data (1 &3)
m
0,20 32,45
0,40 = 64,9
m
1 = 1
2 2
45
m=1
Reaction order of NO (n) is calculated from the first and the second data (1&2)
n
0,20 32,45
0,40 = 129,8
m
1 1
2 = 4
n=2
so, the rate equation of reaction : v = k[H2]m[NO]n. The value of k is founded from the range of
v
k in each experiment ; k
H 2 NO 2
k1 = 4738,3 mol-2 L-2s-2
k2 = 4269,7 mol-2 L-2s-2
k3 = 4494,5 mol-2 L-2s-2
k k k
k 1 2 3 = 4500,8 mol-2 L-2s-2
3
Sample Problem. 2
A radioactive species X decays as long as 30 seconds. At the end of its decays the
amount of X is 12.5% from originally. Calculate the half-life of X
t / t1 / 2
N 1
Hint: t
No 2
Solution
N t 1 t / t1 / 2
No 2
30 / t
12.5 1 1/2
100 2
30 / t
1 1 1/2
8 2
3 30 / t1/2
1 1
2 2
30
3
t1 / 2
t1/2 = 10 seconds
F. Chemical Equilibrium
For a general equation: aA + bB ↔ cC + dD
The equilibrium law will be
[C ]C D
d
Kc
Aa Bb
c d
PC PD
Kp a b
PA PB
46
Sample Problem. 3
Known, the following reaction as:
2H2(g) + O2(g) ↔ 2H2O(g)
[ H 2 ]2
K1
H 2 2 O2
H2(g) + 1/2 O2(g) ↔ H2O(g)
[H2 ]
K2
H 2 O2 1/2
State the relationship of K1 and K2
Solution
H 2 2
1/ 2
[H2 ]
K2 = K11/2 K1
H 2 O2 1/2 H 2 2 O2
G. Isotherm Adsorbtion Freundlich
The general equation of isotherm adsorbsion models by Freundlich can be represented by using
following equation.
x
kc
1/ n
m
Where:
x is amount of adsorbat
m is a mass, k is a constant of Freundlich
c is a concentration of adsorbat (mg/L).
H. Vibrational Frequencies
We can calculate the vibrational frequency of a bond with reasonable accuracy, in
the same way as we can calculate the vibrational frequency of frequency of a ball and
spring system; the equation is Hooke’s law, which correlates frequency with bondstrengh
and atomic masses, since
1/ 2
1 k
v
2 m1 m2 ( m1 m2 )
Where:
v = frequency
k = a constant related to the strength of the spring 9the force conctant of the bond)
m1+m2 = the masses of the two balls (atoms)
Sample Problem. 4
Calculate the approximate frequency of the C-H streching vibration from the
following data:
k = 500 N m-1 (since 1 newton = 103 g m s-2 )
mc = mass of the carbon atom = 20 x 10-24 g
mH = mass of the hydrogen atom = 1.6 x 10-24g
47
1/ 2
1 k
v
2 m1 m2 ( m1 m2 )
1/ 2
7 5.0 x 105 g s 2
v
2 x 22 (20 x 10 24 g) /(1.6 x 10 24 g) /(20 1.6)10 24 g)
= 9.3 x 1013s-1
zV = ½ mV2
V2 = 2zV/m
At the circular motion and at equilibrium the centrifugal force of ion (mV2/r) is equalled by the
centripetal force exerted on it by the magnet (zBv), where r is the radius of the circular motion and B is
the fieldstreng, Thus
mV2/r = zBV
V = zBr/m
Combining of both equations
2zV/m = (zBr/m)2
m/z = B2.r2/2V
( m2 )2
m
m1
QUIZ:
48
THE PROBLEMS
1.Calculate the value of the function for the x values given.
a. ex
1) 3; -3
2) 6.18 ; 0.162
3) [(-72)/(8.314 x 10-3)(300)]
b. ln x
1) 2.72
2) 100; 0.010
3) 20 ; 5.0
4) 1.0 x 10-2
2. The rate lawfor a rection wasfound to be
V = (2.235 x 10-6 L2 mol-2 s-1) [A]2[B]
What would the rate of reaction be if
(a) The concentration of A and B are 1.00 mol L2
(b) [A] = 0.250 M and [B]= 1.30 M
3. In the room of 10 L, the chemical is reacted 0,4 mole of H2 gas and 0,5 mole of CO2 gas, based on the
equilibrium reaction :
H2(g) + CO2(g) H2O(g) + CO2(g)
The constant of equilibrium reaction in the certain temperature is 0,25. Determine the
mole combination of that matters is balance!
4. In an equilibrium reaction which is made from SO2, O2 and SO3 can be stated wtih three ways. They
are :
a) 2SO2(g) + O2(g) 2SO3(g) Kc = K1
b) 2SO3(g) 2SO3(g) + O2(g) Kc = K2
c) SO2(g) + ½O2(g) SO3(g) Kc = K3
How to make relation between K1, K2, and K3?
References
Department of Chemistry, The University of North Carolina, Mathematic in chemistry, http://net.chem. unc.
Edu/
Harry, G. Hedit. 1990. Mathematic in chemistry. Prentice Hall. Englewood Cliffs. New Jersey.
Hirst, D. M. 1975. Mathematic for Chemistry. The Macmillan Press. LTD. London.
Upu, Hamzah, English for Teaching Mathematic and Science, Pustaka Ramadhan, Bandung, 2006
R. Nelson Smith & Conway Pierce, 1980, Solving general chemistry problems, San Francisco, W. H. FREEMAN AND
COMPANY
49
Fritz V¨ogtle, J. F. Stoddart and M. Shibasaki, 2000, Stimulating Concepts in Chemistry. Weinheim, WILEY-VCH
Verlag GmbH
J. M. T. Thompson, 2001, Visions of the future : chemistry and life science, United Kingdom, Cambridge
James R. Barrante, 1998. Applied Mathematic for Physical chemistry. Prentice-Hall, Inc. New Jersey. United States of
America.
Williams, Linda D, 2003, Chemistry Demystified, New York, McGraw-Hill Companies, Inc.
Thomas E. Price, 2001, The Trigonometric functions, teprice@uakron.edu.
Gibbs, J. Williard, 1900, Vectors and dyadic, http//www.bgcarlisle.com/murphnotes
Richard Earl, 2004, Complex Numbers, Mathematical Institute, Oxford
50
MODUL 5
LEARNING ACTIVITY 1
LOGARITHM
(BASIC LOGARITHM)
Dear Students, Module 5 Learning Activity 1 discusses material on basic concepts, rules, equations, and
logarithmic functions. This material is very much applied to chemical materials. This material will be
described in detail so that it can facilitate you in your efforts to achieve the ability to apply various
mathematical foundations in solving problems in chemical materials.
4. Material Explanation
A. Introduction
The definition of logarithm is the invert of exponent. In this explanation, we look for the
exponent if its basis number (positive numbers, but ≠ 1) and the number which is taken from its logarithm
(positive numbers) which it is known. It is mentioned as anti-logarithm. Two kinds of logarithms are
often used in chemistry: common (or Briggian) logarithms and natural (or Napierian) logarithms. The
power to which a base of 10 must be raised to obtain a number is called the common logarithm (log) of
the number. The power to which the base e (e=2.718281828……..) must be raised to obtain a number
is called the natural logarithm (ln) of the number.
Logarithm and anti-logarithm is always used to solve the chemical calculation. The explanation of the
acidity degree need the smallest numbers, such as the concentration of H+ ion in the pure water at the
room temperature (25oC) is 1 x 10-7 mol.L-1. To prevent the using of that smallest numbers, the chemist
51
named Sorensen (1868-1939) made the statement about pH concept. Mathematically, it is stated with
the equation :
pH = -log[H+].
= x p a log p log b x
a 2
g) log b = (alog b)2
h) a log b c = 1/b alog c
Examples :
1. Simplify:
d) 2log 4 + 2log 8
e) 3log 1/9 + 3log 27
f) 5log 1/2 + 5log 50
g) log 8 + log 125
52
Solutions
a) 2log 4 + 2log 8 = 2log (4 x 8) = 2log 32 = 5
b) 3log 1/9 + 3log 27 = 3log (1/9 x 27) = 3log 3 = 1
c) 5log 1/2 + 5log 50 = 5log (1/2 x 50) = 5log 25 = 2
d) log 8 + log 125 = log (8 x 125) = log 100 = 3
2. If 2log 3 = y, expressed the logarithms below in y
2. 2log 9
3. 8log 3
4. 3log 2
5. 3log 4
Solutions
a) log 9 = 2log 32 = 2 x 2log 3 = 2y
2
2 5
3.Calculate: log 5 x log 64 = 2 log 5 x 5
log 26 = 2 log 5 x 6 x 5 log 26
1
= 2 log 5 x 2
x6 = 6
log5
4. Simplify
a) 2 2log 5 = 5
b) 33log 4 = 4
c) 99log 45 = 45
5. Simplify
3
log 2 x 2 log 33 3 log 35
2
(a) 3
log 8 x log27 log243
2 9 3 2
= 10
53
Figure 1. The function graph of y = a log x and y = ax
x . y = am . an = a m + n
a
log (x.y) = m + n
or
a
log (x.y) = a log x + a log y
The conclusion of the mathematical equation is same with the adding its logarithm.
If we do the dividing operation :
x a m m n
a
y an
x
a
log m n or
y
x
a
log a log x a log y
y
The conclusion of the mathematical equation is same with the deducting its logarithm.
The logarithm is also useful to know the increasing of chemical product of industry in the certain
force by the simple multiplying.
If x = am and we need calculate xp, so;
xp = (am)p = amp
a
log xp = m.p
because m = alog x, so;
a
log xp = p. alog x
So, the logarithm of the sum of x product grows with the force of p by multiplying the logarithm
of x with the force of p factors.
54
x = am
by taking the basis number b, so alog x = blog am = m blog b;
Because of m alog x, so alog x = (blog a)( alog x)
Based on the characteristics of logarithm above, the system of logarithm is used in chemical
calculation. Although the calculations, which consists of the logarithm equation, can be finished easily by
using calculators, this concept must be studied because it is very important. Based on that basis number,
the logarithm can be grouped into common logarithm (Briggian) and natural logarithm (Napier
logarithm).
55
MODUL 5
LEARNING ACTIVITY 2
LOGARITHM
(GENERAL AND NATURAL LOGARITHM)
Dear Students, Module 5 Learning Activity 2 discusses material about general logarithm and natural
logarithm. This module also describes the application of these materials to chemical materials. This
material will be described in detail so that it can facilitate you in your efforts to achieve the ability to apply
various mathematical foundations in solving problems in chemical materials.
4. Material Explanation
56
The general logarithm is the logarithm with the basis number is 10. It means that in logarithms,
there is exponent, which state how many time of 10 must be exponented to produce the known number.
For example :
10
log a = 2
a = 102
= 100
The basis of 10 in general logarithm, it is usually written. For example 10log a = 2 is generally
written as log a = 2.
For example :
Calculate :
a. log 100
b. log (100 x 1000)
1
c. log
1000
The Completion :
a. log 100 = log 102 = 2 log 10 = 2 x 1 =2
b. log 100 (10 x 100) = log 1000 = log 103 = 3 log 10 =3x1=3
1
c. log = log 10-3 = -3 log 10 =-3x1 = -3
1000
The round numbers will be produced just in general logarithm of 1, 10, 100, 1000, etc. It means
that we will get the decimal number in this logarithm .
For Example :
Calculate the log 300 !
The Completion :
Log 300 = log 3.102 = log 3 + log 102 = log 3 + 2 = 0,4771 + 2 = 2,4771
The decimal points in logarithm consist of two parts. The left part from decimal point is
mentioned as characteristics, but in the right part from decimal is mentioned as mantis. So, the logarithm
in the equation of log 300 = 2,4771, has two characteristic and its mantis is 0, 4771. The characteristic
is not entered if we calculate the significant number and its mantis is written based on the account of the
significant numbers in that basis numbers.
For example :
Calculate the general logarithm of 6,7 x 10-4 !
The Completion :
By the using electric calculator, can be done the operation below :
6 7 EXP ± 4 log
.
The operation gives the result as -3,1739, because the result consist of the significant number, so
the result must be rounded to -3,17.
Calculation of pH
The calculation general logarithm above is usually founded in chemistry, such as the calculation
of pH. Hydrogen-ion concentrations are represented by "pH" and hydroxide-ion concentrations by
"pOH", defined by the relations
57
pH = -log [H+]
pOH = -log [OH-]
In keeping with this usage, we also use
pKw = -log Kw
where,
Kw = [H+] [OH-] = 1 x 10-14
You recall from the basic formula of logarithm that log AB = log A + log B. Therefore, because
pH + pOH = pKw = 14
There are a lot of the formulas for calculation of pH:
1. Strong acids
[H+] = a [acid]; where a = quantity of H in a acid, so
pH = -log [H+]
2. Strong bases
[OH-] = b [base]; where b = quantity of OH in a base, so
pOH = -log [OH-]
3. Weak acids
[H+] = [acid]Ka = [acid]; so
pH = -log Ka [acid] = -log [acid]
4. Weak base
[OH-] = [ base]Kb or [acid]; so
pOH= -log [ base]Kb = -log [base]
5. Buffer
a. Acid-salt
Kw
pOH = -log Cg
ka
b. Base-salt
Kw
pH = -log Cg
kb
6. Buffer
a. Acid-buffer:
[ salt]
pH = pKa + log
[acid]
b. Base-buffer
[ salt]
pH = 14- pKb log
[ base]
For Example:
What is the pH corresponding to a hydrogen-ion concentration of 5.00 x 10-4 M?
The completion:
(a) If you have a hand calculator, all you must do is enter 5 x 10-4 through the keyboard,
press the log key(s), and then change the sign to give pH = 3.30.
(b) You can proceed also as follows:
log [H+] = log (5.00 x 10-4)
= log 5 + log 10-4
= 0.70 + (-4.00)
= -3.30
58
pH = -log [H+]
= -(- 3.30)
= 3.30
If you are asked to compute the pH of a strong acid solution, remember that the acid is almost
completely ionized, and that [H+] is the same as the concentration of acid in the solution.
For example:
What is the pH of a 0.0200 M HC1 solution?
The completion:
Because the HC1 is considered to be completely ionized, we have [H+] = 0.0200 M = 2.00 x
10 M.
-2
(a) If you have a hand calculator, enter 0.02 through the keyboard, press the log key(s), and
then change the sign to give pH = 1.70.
(b) If you use a log table, then
log [H+] = log (2.00 x 10-2)
= log 2 + log 10-2
= 0.30 + (-2.00)
= -1.70
pH = -log [H+]
= -(-1.70)
= 1.70
For example
What is the pH of a 0.0400 M NaOH solution?
The completion:
Because NaOH is considered to be completely ionized, [OH-] = 0.0400 M. The simplest of
various alternatives for calculation is to first find pOH, then subtract that value from 14 to obtain
pH.
a) If you have a hand calculator, enter 0.04 through the keyboard, press the
log key(s), and then change the sign to give pOH = 1.40. Then, pH = 14.00 pOH = 14.00
- 1.40 = 12.60
b) If you use a log table, then
log [OH-] = log (4.00 x 10~2)
= log 4 + log 10-2
= 0.60 + (-2.00)
= -1.40
pOH = -(-1.40)
pH = 14.00 - pOH = 14.00 - 1.40 = 12.60
For example:
Calculate the pH of the buffer solution which consist of 0,0100 mole Ammonium
Chloride and 0,200 mole Ammonia into 100 ml of solution!
59
(Ka ammonium ion is 5,5 x 10-10)
The completion:
In the equilibrium of solution :
NH3 + H2 O NH4+ + OH-
Kb
NH OH
4
NH 3
Log Kb= log
NH logOH
4
NH 3
NH H 3
NH H
=
3 Ka
1
log Kb = log . Kw
Ka
1
= log log Kw
Ka
= log 1 – log Ka + log Kw
pKb = pKw – pKa
= 14 – 9,26
= 4,74
0,0200mole
[NH3] = = 0,200 mole L-1
0,1000 L
0,0100mole
[NH4+] = = 0,100 mole L-1
0,1000 L
60
The general logarithm can be changed by the other basis number logarithm. For stating the
general logarithm become natural logarithm can be explained below :
y = log x
It means that :
10y = x
ln x = ln 10y
= y ln 10
= (log x) (ln 10)
The value of ln 10 = 2,302585…..
So:
ln x = 2,303 log x
The equation above is usually founded in chemistry, such as the determining the half-time (t ½
). In the first order, the formula is :
a
kt = ln
(a x )
where, k : the constant of the reaction rate
t : time
x : the reactant concentration which have reacted in t time
a : the initial concentration of reactant
a a a
If t = t 12 so x and = 2
2 ax a 2a
k t 12 = ln 2
= 2,303 log 2
= 0, 693
0,693
t 12 =
k
To get the value of ln 2 can be done by pressing the number two in calculator then pressing ln,
so it is founded 0,693.
2 ln = 0,693
The other ways can be done by the relation of the general logarithm is same with the ways which
is exampled above ln 2 = 2,303 log 2.
2 log x 2 . 3 0 3 =
If the logarithm is a known number and is asked about the number which produce that number,
so it is mentioned as looking for anti-logarithm.
The using of logarithm concept is also used in the explanation of reaction kinetic, such as in the
first order, the equation in mathematically can be expressed in other form:
[A] = [Ao] e-kt
or, it can be written into equation form ;
61
[ A]
2,303log
[ A0 ]
k
t
For Example :.
1. Calculate the x:
a) log x = 3,2
b) log x = 0,1008
c) log x = 3,00
d) log x = 0,1008
The Completion :
The calculation can be done by calculator by operating below :
3 3. 2 inv log
62
A log(1/ 0.5 )
= 0,301
b) Since A log (1 / T ) = 1.0
log(1/T ) 1
T 0.1 or10 %
PROBLEMS
1. By using the characteristic of logarithm, calculate the x below :
a) x = 487 x 2,45 x 0,0378
136,3
b) x =
60,38
1
c) x =
224
17,5 x 1,92
d) x =
0,263 x 0,00314
e) x = 3 0,0592
f) x = (6,8 x 10-4)3
g) x = 8,31x 10 11
h) x = 971,665
i) x = ln 28,25
j) x = 57,9 ln (3,25 x 104)
2. Calculate the pH of solutions with the following H+ concentrations (in moles/ liter)
a) 10-4
b) 8.9 x 10-2
c) 10-6
d) 3.7 x 10-1
e) 10.8
f) 6.5 x 10-5
g) 0.35
h) 0.012
3. Calculate the pH of solutions with the following OH- concentrations (in moles/liter)
a) 10-4
b) 7.91 x 10-2
c) 10-6
d) 4.65 x 10-8
e) 10-8
f) 2.56 x 10-8
g) 10
h) 0.6 5
4. Calculate the H+ concentration for each of the solutions with the following values for pH
a) 3.61
b) 8.96
c) 7.52
d) 10
e) 13.43
f) 2.80
g) 0.77
63
h) -0.6
i) 6.45
j) 13.8
5. Calculating the pH of solution below :
a) HCl 0,01 mole L-1
b) H2SO4 0,01 mole L-1
c) NaOH 0,01 mole L-1
d) Ca(OH)2 0,01 mole L-1
6. Calculating the (H+) of these solution below :
a) HI with pH 1,2
b) H2SO4 with pH 1,04
c) NaOH with pH 13,05
d) Ca(OH)2 with pH 13,01
7. Done these problems below :
e) a log b . b log c . c log d
1 1 1
f) a log . b log . c log
b c a
2
log x - log x – 28 = 0
2 2 3
Refernces
Department of Chemistry, The University of North Carolina, Mathematic in chemistry, http://net.chem. unc. Edu/
Harry, G. Hedit. 1990. Mathematic in chemistry. Prentice Hall. Englewood Cliffs. New Jersey.
Hirst, D. M. 1975. Mathematic for Chemistry. The Macmillan Press. LTD. London.
Upu, Hamzah, English for Teaching Mathematic and Science, Pustaka Ramadhan, Bandung, 2006
R. Nelson Smith & Conway Pierce, 1980, Solving general chemistry problems, San Francisco, W. H. FREEMAN AND
COMPANY
Fritz V¨ogtle, J. F. Stoddart and M. Shibasaki, 2000, Stimulating Concepts in Chemistry. Weinheim, WILEY-VCH
Verlag GmbH
J. M. T. Thompson, 2001, Visions of the future : chemistry and life science, United Kingdom, Cambridge
James R. Barrante, 1998. Applied Mathematic for Physical chemistry. Prentice-Hall, Inc. New Jersey. United States of
America.
Williams, Linda D, 2003, Chemistry Demystified, New York, McGraw-Hill Companies, Inc.
Thomas E. Price, 2001, The Trigonometric functions, teprice@uakron.edu.
Gibbs, J. Williard, 1900, Vectors and dyadic, http//www.bgcarlisle.com/murphnotes
Richard Earl, 2004, Complex Numbers, Mathematical Institute, Oxford
64
MODUL 6
LEARNING ACTIVITY 2
FUNCTION
(TRIGONOMETRIC FUNCTION)
Dear Students, Module 6 Learning Activity 2 discusses material on basic concepts of trigonometric
function. This material is very much applied to chemical materials. This material will be described in
detail so that it can facilitate you in your efforts to achieve the ability to apply various mathematical
foundations in solving problems in chemical materials.
Understand the concepts and graphs of functions as well as types and properties of functions and be able
to apply them in chemical calculations
65
The learning materials that will be delivered in learning activities 2 in module 6 of this Mathematical
Chemistry course are:
d. Trigonometric function
e. The sign
f. The graph
4. Materials Explanation
Trigonometry deals with the measurement of angles. There are several trigonometric functions, and
they can be defined in terms of the coordinates of a circle. If we have some arbitrary point P at a distance
r from the origin, with x-coordinate a and y-coordinate b, then the sine, cosine and tangent of the angle
which the line OP makes with respect to the x-axis are defined by :
b
sin
r
a
cos
r
b sin
tan
a cos
Figure 7.1. Relation of the parameters used to define the trigonometric functions
The reciprocals of these functions are also in common use. They are called the cosec, secant and cotangent,
respectively and they are written
1 r
cos ec
sin b
1 r
sec
cos a
1 a
cot an
tan b
A. The sign
66
The trigonometric functions will have different signs in differet quadrants as shown in
Figure 7.2
sin + sin +
cos - cos +
tan - tan +
sin - sin -
cos - cos +
tan + tan +
B. The graph
Each of these trigonometric functions traces out a certain characteristic graf as the angle goes
from 0 to 360 degrees. If the value of r remains constant, the point P defines a circle and the sin function
for example starts at :
= 0o, sin = 0
= 90o, sin = 1 (maximum value), goes to back to 0
= 180o, sin = 0; falls to a minimum value of -1
= 270o, sin = -1; then again return to 0
= 360o, sin = 0
y
1 y = sin
x
-2π -π 0 π 2π x
-1
1 y
y = cos x
-2π -π 0 π 2π x
-1 67
1 y
y = tan x
-1
The important trigonometric relations among the trigonomteric functions that we have defined.
Among the more important of these are the following :
1. sin2x + cos2x = 1
2. tan2x + 1 = sec2x
3. cotan2x + 1 = cosec2x
4. sin (x y) = sin x cos y cos x sin y
5. cos (x y) = cos x cos y sin x sin y
6. sin (-x) = - sin x
7. cos (-x) = cos x
8. tan (-x) = - tan x
The equation of 1,2 and 3 can be verified using the Pythagorean theorem, r2 = a2 + b2
R
S
68
β
Q T U
Figure 7.4 Figure used to derive the multiple angle formulas
Consider of OR and OP line which are at angles dan with respect to the x-axis,
respectively. The line of PR is perpendicular to OR so the angle SPR is also equal to . So :
OQ OT QT OT QT
cos ( )
OP OP OP OP
OR PR
Multiplying the first term of and the second term by gives
OP PR
OT OR QT PR OT OR QT PR
cos ( ) x x x x
OP OR OP PR OR OP PR OP
PQ QS SP QS SP TR SP
sin ( )
OP OP OP OP OP OP
TR OR SP PR
sin ( ) x x
OR PR OP OR OP PR
We multiply the first term by and and the second by to obtain
OR PR TR OR SP PR
x x
OR OP RP OP
Since
69
SP
cos
PR
PR
sin
OP
OR
cos
OP
TR
sin
OR
If and , so ;
2 2
So, sin sin 2 cos sin 2 cos sin
2 2
Example 1
Determine the values of the trigonometric functions at t = π/4.
Solution:
As suggested by the figure below, at t = π/4 (45◦) the two coordinates x and y of the point P(x,
y) on the unit circle must be equal since
P lies on the line y = x.
y
y=x
P
(x,y)
70 x
Figure 7.5 The two coordinates x and y of the point P(x, y)
Example 2.
Determine the values of the trigonometric at t = π/6
Solution:
An argument similar to that used in previous example-1 suggests that the point P on the unit
circle that determines the angle of π/6 rad has coordinates ( 3 / 2, 1 / 2) . Consequently, the
values of the trigonometric functions at π/6 are:
1 3
sin cos
6 2 6 2
1 3 /2
tan cot 3
6 3 6 1/ 2
2
sec cos ec 2
6 3 6
Remember:
Sin t = y, cos t = x, tan t = y/x, cot t = x/y, sec t = 1/x, csc t = 1/y
A summary of the values of the trigonometric functions at various angles, including those
discussed thus far, is given in Table 7 below. A dash (−) indicates that the function is undefined at
the given angle.
71
π/6 1/2 3 /2 3 /3 3 2 3 2
3
π/4 2 /2 2 /2 1 1 2 2
π/3 3 /2 ½ 3 3 /3 2 2 3
3
π/2 1 0 - 0 - 1
Example 4.
Calculate the angle between the bonds for a tetrhedral molecule such as CH4!
Solution :
The geometry of the molecule is most readily visualized by placing the central atom at the center
of a cube, with the four atoms to which it is bonded at altrenate corners.
If the length of the cube is a, the distance between any pair of the four corner atoms, represented
by a diagonal drawn across a face of the cube, is a 2 a 2 2.a . We slice in the cube in two,
by cutting along the diagonal. What we see is
a
72
:
Example 5.
The nature of the crystal structure for a given ionic compound is determined in part by the ratio of
the ionic radii, known as the radius ratio. The ratio must fall within a certain range for a given
coordination, so that the ions pack together in a reasonable fashion. The ideal ratio is that for
which the cations and anions, viewed as hard spheres, just touch one another. Calculate the
ideal radius ratio for cations that have a coordination number of three.
Solution:
For threefold coordination, the centre fo the anions form an equilateral triangle.
From figure above, we know that the besectors of each of the internal angles for an equilateral
triangle intersect at two thirds the distance between an apex ann the opposite base. A right
triangle that is half that of the equilateral triangle above is represented by:
+
+ +
73
Figure 7.6 A right triangle
Where the vertical line represent one of the besectors. Its length is given by
(2ra)2 ( ra)2 3.ra
Since the cation centre is at two-thirds this distance, we have:
ra rc 2 3 3.ra
rc (2 3 3 1)ra
rc
0,1547
ra
PROBLEMS
1. Determine the values of the trigonometric functions at t = π/3.
2. Determine the values of the trigonometric functions at t = −π/6
3. Find sin 30 ◦ and tan(−30 ◦)
4. Use the symmetry properties of the unit circle and the methods of direct calculation to determine
sec (π − t)
5. Using the symmetry of the circle and the information in Table 7 determine the values of the sine,
cosine, and tangent functions at (a) 3π/4 rad and b) 5π/6 rad.
6. Using the symmetry of the circle and the information in Table 7 determine the values of the sine,
cosine, and tangent functions at (a) −2π/3 rad and (b) −5π/6 rad.
7. Using the Figure of the dipole moment of H2O determine the bond moment of O-H. Known:
the dipole moment of H2O = 1,84 D
μ =1.86
θ =1040
O H
?
References
Department of Chemistry, The University of North Carolina, Mathematic in chemistry, http://net.chem. unc. Edu/
Harry, G. Hedit. 1990. Mathematic in chemistry. Prentice Hall. Englewood Cliffs. New Jersey.
Hirst, D. M. 1975. Mathematic for Chemistry. The Macmillan Press. LTD. London.
74
Upu, Hamzah, English for Teaching Mathematic and Science, Pustaka Ramadhan, Bandung, 2006
R. Nelson Smith & Conway Pierce, 1980, Solving general chemistry problems, San Francisco, W. H. FREEMAN AND
COMPANY
Fritz V¨ogtle, J. F. Stoddart and M. Shibasaki, 2000, Stimulating Concepts in Chemistry. Weinheim, WILEY-VCH
Verlag GmbH
J. M. T. Thompson, 2001, Visions of the future : chemistry and life science, United Kingdom, Cambridge
James R. Barrante, 1998. Applied Mathematic for Physical chemistry. Prentice-Hall, Inc. New Jersey. United States of
America.
Williams, Linda D, 2003, Chemistry Demystified, New York, McGraw-Hill Companies, Inc.
Thomas E. Price, 2001, The Trigonometric functions, teprice@uakron.edu.
Gibbs, J. Williard, 1900, Vectors and dyadic, http//www.bgcarlisle.com/murphnotes
Richard Earl, 2004, Complex Numbers, Mathematical Institute, Oxford
MODUL 7
LEARNING ACTIVITY 1
75
5. Course Learning Outcome
Dear Students, Module 8 Learning Activity 1 discusses material on basic concepts of area under curves
and integral. This subject is studied to Understand broad concepts under curves and integrals and are able
to apply them in chemical calculations. material will be described in detail so that it can facilitate you in
your efforts to achieve the ability to apply various mathematical foundations in solving problems in
chemical materials.
8. Materials Explanation
The other mathematic operation in chemistry is the calculation of the wide in the under of curve.
Some of areas have the geometric shapes, which is simple, so it is easy to calculate. If the fuction of f(x) is
constant:
f(x) = a
so the wide in the under of f(x) graph between two points x1 and x2, is the wide of a rectangular (Figure.
) and it is easy to calculate: The wie = lenght x lining = a(x2 –x1) = [ax2] – [ax1]. If f(x) is a linear
line, which is not horizontal and vertical,
f(x) = mx + b
so the wide of the figure is trapezoid (Figure. 8.1 ) and same with:
The wide = the average of heighr x lining
76
1
mx1 b mx2 b x2 x1
2
mx22 bx2 mx12 bx1
1 1
2 2
If f(x) is the difficult fuction, such as it is showed in figure 1c. We can determine the under of
this curve by doing vicinity for rectangular with the wide of Δx and changing the height. If the height of
rectangurar is yi = f(x), so we get the form of vicinity bellow:
Wide = f ( x) dx
x1
Figure 8.1
77
When the wide from rectanguler of Δx is small, the vicinity will be better. We definite the wide
in under of curve of f(x) between two points as the limited value from this sum when Δx will get 0, is
named certain integral.
We take the two examples like that:
x2
x2
(ax b ) dx =
ax2 bx2 + ax12 bx1
1 2 1
f(x) = ax + b =
x1
2 2
These integrals have interesting shapes, which also can be enlarge for the other cases. Some of the F
function are evaluated in limited up (x2), is deducted the function of F which is evaluated in limited down
(x1).
x2
f ( x) dx = F(x ) – F(x )
x1
2 1
F is mentioned as anti-defferential from f because of the reasons that we will not determine here, that value
is founded by inversion from the defferential operation. In other words, if F is anti-defferential from f, so f
is the differential from F:
dF
f (x )
dx
So, to calculate the integral, we have to turn the result, because we need to look for the functions of F(x)
which its differential is same with f(x). Table 1 is the list of the important integral for basic chemistry.
Some of the other mathematic characteristics will be important in this section. If a function is
multiplied with a constant of c, so its integral is multiplied with the same constant.
x2 x2
cf ( x) dx = c f ( x ) dx
x1 x1
The reason is clear, (1) if the function is multiplied with a constant factor, so the wide in under
curve must be addeted with the same factor; (2) the integral from two functions are the sume from
separetted integral:
x2 x2 x2
f ( x) g( x)dx = f ( x) dx + g( x ) dx
x1 x1 x1
78
Finally, if the limit up and limit down from the integral is reversed, so the sign from integral is changed.
This can be seen easily from the form of anti-differential:
x2 x2
2 2
(24 4) (6 2)
28 8 20
2. Calculate the area under the curve y = x2 (Figure 8.2) between x =1 and x = 5
y
x
0 1 5
Figure 8.2 5
One should, in general, sketch the curve in question to check that there are no discontinuities
and to find out where it crosses the x-axis. In this case
5
x3 5
area A ( x ) dx 1
2
1
3
124
3
3. Calculate the area under the curve y = [x/(1 + x2)] between x = 0 and x = 1 (Figure 8.3)
y = [x/(1 + x2)]
x
0
Figure 8.3
79
1 d (1 x )
1 1 2
x
A dx
0
1 x 2 0
2 1 x 2
1
ln (1 x 2 ) 10
2
1 1
ln 2 ln1
2 2
1
ln 2
2
If the function f(x) is negative for some interval, the area enclosed by the curve, the ordinates x
= a and x = b and the x-axis is calculated by the same method but must be given a negative sign.
4. Taking the same example y = [x/(1 + x2)] but calculating the area between x = -1 and x = 0 gives
0
A
x
1 x
1
2
dx
1
( ln1 ln 2)
2
1
ln 2
2
If the curve crosses the x-axis in the interval of interest, the area must be subdivided into regions
in which f(x) is positive or negative and the appropriate sign include.
The area of the semi-circle can be calculated by integration. The equation of a circle of radius a
having its centre at the origin is x2 + y2 = a2
a
6. Calculate the integral
a
(a 2 x 2 )dx (Figure 8.4)
x2 + y2 = a2
x
0
Figure 8.4
80
a a
A (a x )dx 2 (a x )dx
2 2 2 2
a 0
a2
2 sin 2u a 2
u 2
4 20
2
a
2
n
W F (C
k 1
k )x
the work the work done PA dx . Since A dx is a volume, this is more conveniently written as
a
v2
P dv. The precise dependence of P on V depends on the conditions under which the compression
v1
or expansion takes place.
We can use a similar approach to calculate the electrostatic potential resulting from bringing a
unit positive charge to a distance r1 from charge z1. By Coulomb’s law the force F between two charge z1
and z2 separated by a distance r is
z1 z2
F where ε0 is permittivity of free space. Those the work done again the field of a
4 0 r 2
charge z1 in bringing up a unit charge from infinity to r1 is
r z1
W dr
4 r 2
o
z
1
4 0 r1
81
But this work done against the field of z1 is the potential v at the point r1; that is
z
W 1
4 0 r1
The relationship between force and potential energy
dv
F
dr
[ f (C )]
k 1
k
2
x
b
[ f ( x)] dx.
2
and the exact volume is given by the definite integral
a
f(x)
x
0
82
x
f(x)
∆x
0 Xk- Xk x
1
Figure 8.5
Let us apply this to the sphere and the right circular cone.
a. The sphere
Rotating the semicircle y y a 2 b 2 ) about the x-axis given a sphere whose volume
approximately
n
(a
k 1
2
x 2 )x (figure 8.6)
∆X
x
0
Xk-1
Xk
Figure 8.6
83
a
(a 2 x 2 ) dx
a
x3
2 a 2 x a
o
3
4
a3
3
h
V y 2 dx
0
h r2 2
x dx
0 h2
1
r 2h
3
In some case, although the relation may be about the x-axis, it may be more convenient to express the
integral in term of y.
PROBLEMS
1. Calculate the integral below :
4
a) (3x 1) dx
2
5
x
6
b)
0
4
e
2x
c) dx
1
2. Calculate the integral below:
4 100 4
1 5
a) 4 dx b) dx c) x 2
dx
1 2
x 2
84
MODUL 8
LEARNING ACTIVITY 1
COMPLEX NUMBER
Dear Students, Module 9 discusses material about complex numbers. This module also describes the
application of these materials to chemical materials. This material will be described in detail so that it
can facilitate you in your efforts to achieve the ability to apply various mathematical foundations in
solving problems in chemical materials.
85
b. Accuracy in explaining about the define of vectors and matrices
4. Material explanation
A. Definition
The complex number system is formly by z = a + bi (a and b are the real number and i is
imaginary unit) is useful in determining of electron position in atom and molecule structures. It is also
used as mathematic model for solving the equation of wave from the wave function of electron moving.
In real number system, the square root of the negative real number is undefined, except that
negative real number is stated as imaginary number, so it can be written as n 1 n , the square
root of -1 is symbolized i. i = 1 or i2 = -1. In system of complex number, the component of the
complex number is written by Rc (z) and imaginary unit Im (z) . z = 0, if the component of the real and
imaginary are 0. Two of the complex numbers are stated same, if the component of real number is same
with the component of imaginary number.
z1 a bi and z2 c d i are same if a = c and b = d
86
1
z1 6 3i ; z2 4 i
2
z1 z2 6 4 3 i 10 2 i
1 1
2 2
z1 z2 6 4 3 i 2 3 i
1 1
2 2
2. The Multiplication of Two Complex Numbers
z1 . z 2 a bic di
(ac) ( adi) ( bci) ( bd )i 2 .......................................(2)
As known, i2 = -1, so
z1. z2 ac bd ad bc i ..............................................(3)
Example :
z1 5 4 i ; z2 2 3i
z1 . z2 5 4 i 2 3i
10 8i 15i 12i 2
10 7i 12i 2
z1 ac bd bc ad
So, i . ............... (7)
z2 c 2 d 2 c 2 d 2
The factor c – di is known as the complex conjugate of c + di. When a complex number is multiplied
by its complex conjugate, the result is always real and equal to the square of the real part plus the
square of the imaginary part. For the imaginary number z = c + di , the modulus or absolute
value is defined as the positive square root of this real quantity :
z z * z 2 c 2 d 2
z c 2 d 2 ........................................... (8)
z* = the complex conjugate
It should be obvious using this notation that :
87
1
Re(z) ( z z * )
2
1
Im ( z) ( z z * ) ................………………. (9)
2i
z z . z*
D. The Fundamental Theorem of Algebra
Theorem 4.1 (Fundamental Theorem of Algebra). Every nonconstant polynomial with
coefficients in C (or R) has a root in C. There is an important corollary to the Fundamental Theorem of
Algebra. For reference, we'll give a name (although often appeals to this corollary are expressed simply
as appeals to the Fundamental Theorem).Theorem 5.2 (Factorization Theorem). Suppose p(z) is a
polynomial of degree n at least 1, with complex coefficients, say
p(z) = cnzn + cn – 1 zn-1 + …+ cza + c0 , with cn ≠ 0. Then p can be factored as a product of linear
terms p(z) = cn (z – z1)(z – z2) … (z – zn )
where the numbers z1, z2 … zn are the roots of p(z). (Possibly some roots appear more than
once.)
Here are some examples:
z3 + 2z2 + z = z(z + 1)2 ; roots are 0, -1, -1.
z + 2z + 5 = (z - [ -1 + 2i])(z - [-1 - 2i]) ;
2
roots are -1+ 2i.
z4 – 1 = (z - 1)(z + 1)(z - i) (z + i) ; roots are 1, -1, I, -i.
88
from the Pythagorean Theorem you can see that is the distance from z to the origin. (Put another way, is
the length of the line segment between 0 and z.)
Similarly, if z1 and z2 are two complexes numbers, then (just as with real numbers) the distance
from z1 to z2 is z2 z1 . To see this, write z1 and z2 in the forms z1 = a + ib and z2 = (a + c) + i(b + d)
(see Figure 2).
Then
z2 - z1 = c + id, and z2 z1 c 2 d 2 , the distance from z1 to z2.
For example, the distance from 2 + 3i to 5 + 4i is 3 i =, and the distance from 2 + 3i to -1
+ 6i is |(-1- 2) + i(6 - 3)| = | - 3 + 3i| = 18 .
r
b
5θ 5 Real axis
a
-b
5
Figure 3 Argand Diagram for the representation of a number in the complex plane
Using the trigonometric functions defined previously, we have
a
cos and
r
b
sin or
r
z r (cos i sin ) ......................................... (10)
r is the modulus of z as defined above r = z dan tan 1 . b a with .
If we have two complex numbers of the form
Z1 r1 (cos1 i sin 1 )
Z 2 r2 (cos 2 i sin 2 )
89
cos1 2 i sin1 2
Z1 r1
............................. (12)
Z2 r2
z cos i sin :
Then
1 z*
* cos i sin Thus,
z z.z
1 1
z 2 cos dan z 2 i sin and,
z z
1 1
z n n 2 cos n dan z n n 2 i sin n ....................... (16)
z z
Example :
Calculate cos4 , by setting n = 4 in the above (Eq.16)!
The Completion :
90
1
z z cos
z
4
z 1 z 4 cos 4
z
cos 4 4 z 4 4 z 2 6 2 4
1 4 1
2 z z
1
4 z 4 4 4 z 2 4 6
4 1
2 z z
1
4 2 cos 4 4.2 cos 2 6
2
1
cos 4 cos 4 4 cos 2 3 ........................................ (17)
8
Complex numbers can be expressed in exponential form. The relationship is given by
Euler’s Formula (L. Euler, 1707-1783).
e i cos i sin .......................................... (18)
This formula may be verified using series expansion methods :
2
e i e i
sin
2
2
e i e i
cos
2i
Note that
2 2
e i e i e i e i
sin 2 cos 2
2i 2
2 i 2 i
e 2 e e 2 e 2i
2 i
4 4
1 1
1
2 2
Euler’s formula can be used to perform useful manipulations and simplifications of the
hyperbolic functions. For example, it is easily seen that :
e i e i
sin h i i sin
2
e i e i
cos h i i cos ........................................... (19)
2
e i e i
tan h i i tan
2
Example
The solution of the wave equation for a atom of hydrogen give are wave fungtions to the p
orbitals as bellow:
3
l 1 m0 0 f ( r ) cos
4
91
3
l 1 m 1 1 f ( r ) sin e i
8
Show tahat we can take combination of these to get equivalen real orbitals that are
directed along the Cartesian-axes.
Solution :
From the Euler formula, we can write:
sin e i sin cos i sin sin
sin e i sin cos i sin sin
Thus
e i e i
sin cos sin
2
e i e i
sin sin sin
2i
f ( r ) sin e i e i
3
8
Known :
f ( r ) sin e i e i
3
1 1
Px 8
2 2i
3 e i e i
f ( r ) sin
4 2
3
f ( r ) sin cos
4
Proved at x-axis !
f ( r ) sin e i e i
3
1 1
8
Known:
1
Py 1 therefore:
2i
92
f ( r ) sin e i e i
3
1 1
8
2i 2i
3 e i e i
f ( r ) sin
4 2i
3
f ( r ) sin sin
4
Proved at y-axis !
Example 2
The angular parts of wave functions for the hydrogen atom, as obtained by solution of
the wave equation, can all bee expressed in term of functions called the spherical harmonic. One
source list the l = 3, m = -1 solution as
5 x iy
3
7
Y33 .
4 16 r 3
While another gives
7 5
Y33 . sin 3 e 3i
4 16
For the same spherical harmonic. Show that the two are equivalent!
Solution:
Known :
y
sin cos
r
y
sin sin
r
x iy
3
sin e
3 i 3
r
sin 3 e 3i
Proved
PROBLEMS
Below, when a complex number is written in a form like a + ib, then we are assuming that the numbers
a; b are real numbers.
1. Plot the following points in the complex plane: i, 2 – i, 2 + i, -5.
2. a. Compute |7 - 2i|.
b. Compute the distance from 7 - 2i to 0 in the complex plane.
c. Compute |2e6i|.
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d. Compute |(2e6i)(7- 2i)|.
3. (Multiplicative inverse) Let z = a + ib be a nonzero complex number (so at least one of the real
numbers a, b is nonzero). Then 1/z is the number such that (z)(1/z) = 1, and there is only one
such number.
a. Show that
a ib
1/ z 2 2
a b
[Hint: Just show that multiplying the right hand side by a+ib produces the number 1; then
the right hand side must be a correct formula for 1/z.]
b. Compute real numbers a; b such that 1/(2 + 3i) = a + ib
c. Compute real numbers a; b such that (1- 2i)/(2 + 3i) = a + ib.
d. If the polar form of z is Reiθ, then what is the polar form of 1/z?
4. Let z = 2 + i2.
a. Find the polar form of z (i.e., find real numbers R and θ such that R > 0 and 2 + i2 = Reiθ).
b. Find real numbers c and d such that 1/z = c + id.
c. Find the polar form of 1/z.
5. Now z is a complex number z written in the form ex+iy, where x and y are real.
a. Let Reiθ be the polar form of z. Give formulas using x and y for R and tan(θ). For which z
are the formulas valid?
b. Compute the polar form of e2-3i (i.e., find real numbers R and θ such that R > 0 and e2-3i =
Reiθ).
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A. Vectors
A vector quantity is one that has both magnitude and direction. This differs from a scalar quantity
that only has magnitude. Examples of scalar quantities are mass, volume, temperature, time, and speed.
These quantities have magnitude but lack direction. Velocity, acceleration, forces, and momentum on
the other hand have not only magnitude but also direction. These are vector quantities.
Since vectors have a direction, their addition becomes more complicated. To add scalars, one
must simply add numbers (magnitudes). If two vectors are acting in the same direction, their magnitudes
can be added and the resulting vector (called the resultant) points in the direction of the original two
vectors. If the two vectors are going in opposite directions, their magnitudes are subtracted and the larger
of the two vectors indicates the resultant’s direction. If vectors are not acting on the same line, they must
be added in one of two ways. They can either be added graphically or analytically.
A=4
b. Next draw the second vector to scale with the proper magnitude and direction. Be sure to place
the second vector so that its tail starts at the tip of the first vector.
B=3
A=4
The sum of the two vectors (called the resultant) is determined by drawing a vector from the tail of the
first vector and ending at the tip of the second vector.
R=
5 B=3
θ=
A=4
This resultant is then measured and its magnitude determined by using the same scale you used
to draw the first two vectors. The resultant’s direction can be measured using a protractor.
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If two vectors are to be added and they do not form a right triangle, the addition is
more complex. This type of vector addition involves the use of the Pythagorean theorem and
possibly the use of trigonometric functions and vector resolution. Vector resolution is
explained below. Vector Resolution – at times it is convenient to break a vector down into
two components, one that has a direction the same as the x-axis and another with the same
direction as the y-axis. This is easily done using trigonometric functions as illustrated below.
With a given vector of magnitude V and direction θ measured with respect to the horizontal,
the x-component of the vector (V ) and y-component (V ) can be calculated as shown.
x y
Vx
Imagine you make a trip from Makassar to Bulukumba, from where you travel up the East of the country
to Sinjai. Here you stay a day, travelling the next morning to Bone, then across to Maros. At the end of a
day's work you return to Makassar. Mathematically this journey could be represented by vectors, (in 2
dimensions because we are flat earthers on this scale). At the end of the 2nd journey (Makassar-
Bulukumba) + (Bulukumba-Maros) you are only a short distance from Makassar, 20 km. Adding two
more vectors, (trips) takes you to E, (about 250 miles at 12.00). Completing the journey leaves you at a
zero vector away from D, i.e. all the vectors in this closed path add to zero.
Mathematically we usually use 3 dimensional vectors over the 3 Cartesian axes , x, y and z. It is
best always to use the conventional right handed axes even though the other way round is equally valid if
used consistently. The wrong handed coordinates can occasionally be found erroneously in published
research papers and text books. The memory trick is to think of a sheet of graph paper, x is across as usual
and y up the paper. Positive z then comes out of the paper.
A unit vector is a vector normalised, i.e. multiplied by a constant so that its value is 1. We have the
unit vectors in the 3 dimensions:
ˆi ˆj kˆ
So that
v Axiˆ Ay ˆj Az kˆ
The hat on the i, j, k signifies that it is a unit vector. This is usually omitted. Our geographical
analogy allows us to see the meaning of vector addition and subtraction. Vector products are less obvious
and there are two definitions the scalar product and the vector product. These are different kinds of
mathematical animal and have very different applications. A scalar product is an area and is therefore an
ordinary number, a scalar. This has many useful trigonometrical features.
The vector product seems at first to be defined rather strangely but this definition maps onto
nature as a very elegant way of describing angular momentum. The structure of Maxwell's Equations is such
that this definition simplifies all kinds of mathematical descriptions of atomic / molecular structure and
electricity and magnetism.
A summary of vectors
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The unit vectors in the 3 Cartesian dimensions:
ˆi ˆj kˆ
a vector v is
v A x ˆi A y ˆj Aˆ z
The hat on the i, j, k signifies that it is a unit vector.
1. Vector magnitude
v mag Ax 2 A y 2 Az 2
2. A constant times a vector
v new cAx ˆi cA y ˆj cAz kˆ
3. Vector addition
A B ( A x Bx )ˆi ( A y B y )ˆi ( A z Bz )kˆ
Notice : B A A B
4. Vector subtraction
A B ( Ax Bx )ˆi ( A y B y )ˆi ( Az Bz )kˆ
Notice : A B ( A B)
5. Scalar Product
A .B Ax .Bx A y .B y Az . Bz
Notice :B. A A .B
if A B this reduces to a square.
If A and B have no common non-zero components in x, y, and z the value is zero corresponding
to orthogonality, i.e. they are at right angles. (This can also occur by sign combinations making A. B zero.
corresponding to non axis-hugging right angles.)
6. Vector product
A x B ( A y Bz Az B y )ˆi ( A x Bz Az Bx ) ˆj ( A x B y A y Bx )kˆ
Notice : B x A A x B
The minus sign on the middle term comes from the definition of the determinant, explained in
the lecture. Determinants are defined that way so they correspond to right handed rotation. (If you
remember our picture of cos2 sin 2 1 going round the circle, as one coordinate goes up, i.e. more
positive, another must go down. Therefore rotation formulae must have both negative and positive
terms.) Determinants are related to rotations and the solution of simultaneous equations. The solution of
n simultaneous equations can be recast in graphical form as a rotation to a unit vector in n-dimensional
space so therefore the same mathematical structures apply to both space and simultaneous equations.
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4.20 2x 4 y
and
6.30 4 x y
4.20 2
i.e. y x and y 6.30 4 x
4 4
If you plot these equations they will be simultaneously true at x = 1.5 and y = 0.30. Notice that if the
two rounds of drinks are 2 pints and 2 packets of crisps and 3 pints and 3 packets of crisps we cannot solve
for the prices! This corresponds to two parallel straight lines which never intersect.
3x 4 y 4
3x 2 y 1
If these are simultaneously true we can find a unique solution for both x and y. By subtracting the 2
equations a new equation is created where x has disappeared and the system is solved.
2 y 3
This was especially easy because x had the same coefficient in both equations. We can always
multiply one equation throughout by a constant to make the coefficients the same.
If the equations were:
3x 4 y 4
and
6x 8 y 8
things would go horribly wrong when you tried to solve them because they are two copies of the same
equation and therefore not simultaneous. We will come to this later, but in the meantime notice that 3
times 8 = 4 times 6. If our equations were:
3x 4 y 9 z 4
3x 2 y 4 z 1
9 x 2 y 2z 1
we can still solve them but would require a lot of algebra to reduce it to three (2x2) problems
which we know we can solve. This leads on to the subject of matrices and determinants. Simultaneous
equations have applications throughout the physical sciences and range in size from (2x2)s to sets of
equations over 1 million by 1 million.
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and
x + 5y = 10
7x + 4y = 10
Notice that you can solve:
3x + 4y + 9z = 4
3x + 2y - 4z = 1
0x + 0y - 2y = 1
because it breaks down into a (2x2) and is not truly a (3x3). (In the case of the benzene molecular orbitals,
which are (6x6), this same scheme applies. It becomes two direct solutions and two (2x2) problems which
can be solved as above.)
Example1. Show that the system
3x1 + 4x2 = 5
7x1 + 2x2 = 2
of linear equation can be written as
Ax = b
where
3 4 x1 5
A , x and b
7 2 x2 2
Solution: We compute
3 4 x1 3x1 4 x 2
Ax
7 2 x 2 7 x1 2x 2
and we see that Ax = b if and only if
3x 1 4 x 2 5
7 x 1 2x 2 2
This is the same as saying that 3x1 + 4x2 = 5 and 7x1 – 2x2 = 2
a. Matrices
The multiplication of matrices has been explained in the lecture.
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0 1 2
A
0 1 2
3 3
B 4 4
5 5
14 14
AB
14 14
0 6 12
BA 0 8 16
0 16 20
3 3
If A (1 2 3) and B 4 4
5 5
AB ( 40 60)
But BA cannot exist. To be multiplied two matrices must have the 1st matrix with the same number of
elements in a row as the 2nd matrix has elements in its columns.
a ij k a ik bkj
where the a ij s are the element of A
a11 a12 a13
a21 a22 a23
a a a
31 32 33
Look at our picture of cos and sin as represented by a unit vector in a circle. The rotation of the
unit vector j about z the -axis can be represented by the following mathematical construct.
cos( ) sin ( ) 0
sin( ) cos( ) 0
0 0 1
0 sin( )
1 cos( )
0 0
100
This is if we rotate by +45 degrees. For θ = -450 cos(-45) = cos 45 and sin (-45) =
-sin 45. So the rotation flips over to give (01). The minus sign is necessary for the correct mathematics of
rotation and is in the lower left element to give a right handed sense to the rotational sign convention. As
discussed earlier the solving of simultaneous equations is equivalent in some deeper sense to rotation in
n-dimensions.
You will notice that this gives a unit matrix as its product.
0 0 0
0 1 0
0 0 1
The first matrix is the inverse of the 2nd. Computers use the inverse of a matrix to solve simultaneous
equations.
y1 a11 x 1 a12 x 2 a12 x 3 ... a1n x n
y 2 a21 x 2 a22 x 2 a23 x 3 ... a2n x n
If we have ...
...
y n a n1 x n a n2 x n a n3 x 3 ... a nn x n
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In terms of work this is equivalent to the elimination method you have already employed for 10 000 small
equations but can be performed by computers for simultaneous equations. (Examples of large systems of
equations are the fitting of reference data to 200 references molecules, dimension 200, or the calculation
of the quantum mechanical gradient of the energy where there is an equation for every way of exciting 1
electron from an occupied orbital to an excited, (called virtual, orbital, (typically 10 000 equations.)
1 1 2
2 1 1
3 1 1
102
1 1 2 1 1 2 1 1 2
2 1 1 2 1 1 2 1 1
3 1 1 3 1 1 3 1 1
1 1 2 1 1 2 1 1 2
2 1 1 2 1 1 2 1 1
3 1 1 3 1 1 3 1 1
1 1 2 1 1 2 1 1 2
2 1 1 2 1 1 2 1 1
3 1 1 3 1 1 3 1 1
These are the little determinants with the -1 to the (n-1) factors and the value of the determinant is -9.
The transposed matrix of cofactors is
2 1 3
1 5 3
5 2 3
So the inverse is
2 1 3
1/ 9 x 1 5 3
5 2 3
Giving a solution
2 1 3 6 1
1/ 9 x 1 5 3 x 3 1
5 2 3 6 2
This takes a long time to get all the signs right. Elimination by subtracting equations is much easier.
However as the computer cannot make sign mistakes it is not a problem when done by computer
program.
The following determinant corresponds to an equation which is repeated three times giving an
unsolvable set of simultaneous equations.
1 2 3
1 2 3
2 4 6
Matrix multiplication is not necessarily commutative, which in English means AB does not equal
BA all the time. Multiplication may not even be possible in the case of rectangular rather than square
matrices. I will put a list of the properties and definitions of matrices in an appendix for reference through
the later years of the course.
103
We have already encountered determinants of 2x 2 matrices.
Definition. The determinant of a 2x2 matrix
a b
A
c d
is written
a b a b
A A ad bc
c d and is difined by c d
Solution
1 2
(1) 1.3 4.2 5
4 3
2 3
(2) 2.1 2.3 4
2 1
ab a b
(3) a b 2 a b 2 4ab
ab ab
In 2nd year quantum chemistry you will come across this object:
0 0
0
0
0
0 0
You devide by β and set ( – E)/β to equal x to get:
x 1 0 0
1 x 1 0
0
0 1 x 1
0 0 1 x
Expand this out and factorise it into two quadratic equations to give:
x 2 x 1x 2 x 1 0
Which can be solved using x = -b ±etc.
104
The above determinant is a special case of simultaneous equations which occurs all the time in
chemistry, physics and engineering which looks like this:
x 2
4 x 2 1x 2 1 0
from which the 6 solutions and the orbital picture are immediately obvious. The use of matrix equations
to solve arbitrarily large problems leads to a field of mathematics called linear algebra.
1 i
x
x i x 1 2 2
i x 1 x 1 i
x
2 2
They are all the same! This exemplifies a deeper property of matrices which we will ignore for now other
than to say that complex numbers allow you to calculate the same thing in different ways as well as being
the only neat way to formulate some problems.
PROBLEMS
1. Draw the vectors a = (1,4) and b = (4,1) in a coordinate system. Draw also a+b
2. Draw the vectors a = (¡1; 3) and b = (4; 2) in a coordinate system. Draw also
a + b:
3. Write the following system of equations as Ax = b:
x1 + 2x2 + x3 = 4
x1 + 3x2 + x3 = 5
2x1 +5x2 + 3x3 = 1
4. Write the following system of equations as Ax = b:
x1 + 4x2 + x3 = 0
x1 + 5x2 + x3 = 1
2x1 +9x2 + 3x3 = 1
5. Compute the determinants
105
2 3
(a)
4 1
1 3
(b)
0 1
a b a
(c )
a a b
6. Write
x1 + x2 = 1
x1 + 2x2 = 0
as Ax = b
Find A-1 and use this to solve the system of equations.
7. Let
1 2 1 4 1 1
A 1 3 1 and S 1 1 0
2 5 3 1 1 1
Compute(SA)x and use this to solvethe systemof linearequationin the
previouse problem.
8. Let
a b
A
c d
And assume that ad – bc ≠ 0. Show that
1 d b
ad bc c a
Is an inverse of A
9. Find The inverse of
3 4
A
7 2
3x1 + 4x2 =5
7x1 – 2x2 = 2
10. Compute some more cofactors of matrix
1 0 2
A 0 1 1
2 0 1
11. Let
1 0 2
A 0 1 1
2 0 1
Find Adj(A) and compute A Adj(A) and Adj(A)A.
106
References
Department of Chemistry, The University of North Carolina, Mathematic in chemistry, http://net.chem. unc. Edu/
Harry, G. Hedit. 1990. Mathematic in chemistry. Prentice Hall. Englewood Cliffs. New Jersey.
Hirst, D. M. 1975. Mathematic for Chemistry. The Macmillan Press. LTD. London.
Upu, Hamzah, English for Teaching Mathematic and Science, Pustaka Ramadhan, Bandung, 2006
R. Nelson Smith & Conway Pierce, 1980, Solving general chemistry problems, San Francisco, W. H. FREEMAN AND
COMPANY
Fritz V¨ogtle, J. F. Stoddart and M. Shibasaki, 2000, Stimulating Concepts in Chemistry. Weinheim, WILEY-VCH
Verlag GmbH
J. M. T. Thompson, 2001, Visions of the future : chemistry and life science, United Kingdom, Cambridge
James R. Barrante, 1998. Applied Mathematic for Physical chemistry. Prentice-Hall, Inc. New Jersey. United States of
America.
Williams, Linda D, 2003, Chemistry Demystified, New York, McGraw-Hill Companies, Inc.
Thomas E. Price, 2001, The Trigonometric functions, teprice@uakron.edu.
Gibbs, J. Williard, 1900, Vectors and dyadic, http//www.bgcarlisle.com/murphnotes
Richard Earl, 2004, Complex Numbers, Mathematical Institute, Oxford
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