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    App 2 Mathematical Techniques PDF

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    muhammad waqas

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    © All Rights Reserved
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    Appendix 2 Mathematical techniques Basic procedures 42.1 Logarithms and exponentials “The natural logarithm of a number x is denoted In x and is defined as the power to which e=2.718... must be raised for the result to be equal to. It follows from the definition of logarithms that IneeInyteeesInaye-s (anny Inx-Iny=In(x/y) (a22) (923) We also encounter the common logarithm of a number, log x the logarithm com- piled with 10 in place of. Common logarithms fallow the same rules of addition and subtraction ae natural logarithms. Common and natural logarithms are related by Inx=In 10 log x= 2.303 log x (24) ‘The exponential function, & plays a very specal role inthe mathematics of chem- itry. The following properties are important: ele’, me (425) ele=er (A2.6) ey (427) #22 Complex numbers and complex functions Complex numbers have the form zoxtiy (028) where i= (-1)!. The real numbers and y are, respectively, the real and imaginary parts of denoted Re(s) and Im(z). We write the complex conjugate of, denoted", by replacing i by axiy (029) ‘Theabsolute value or modulus of the complex number zie denoted 2| and is given by: lel=(42)!2= (xt 4 y2)!? (42.10) ‘The following rules apply for arithmetic operations invelving complex numbers: +iyand2’'=3'+iy',then (any A2 Basic procedures ‘A2c1 Logarthuns and exponentials 822. Complexnumbers and complex functions 29 Vectors A26 Vartial derivatives ‘827 Functionalsand functional derivatives ‘20 Undetermined mi 82.9. Differential equations ‘Statistics and probability ‘82.10 Ranclom selections 82.11 Some results of probability ‘82.19 Simultaneous equations ‘82.14 Bigenvalue equations Further reeding 964 Appendix? MATHEMATICAL TECHNIQUES mnzi “The veer Hs empanteis ey yyand von the x ysand zaxes with magnitudes ty and respectively | @ ™ o : eg.a22 (a) "The vectors vand wmakean ange 8. (b) Toadd uxo x, we rs jin the tail of tothe ead of y making sure that the angle Obetwcen the vector remains ‘unchanged. () To finish the process. we draw the resultant vector by joining the til ‘fut the head of. i e.A23 ‘The result of adding the vector vto the vector u, with both vectors defined in Fig. A2.2a. Commparison with theresult shown in Fig A2-2c forthe addition of u tovshous that reversing the order of vectoraddition dacs not aet the est 2 Multiplication. Forzand 2’ defined above, = (ox — yy) +iloy! 492°) (42.12) axa = (x tiple + 3 Division, For zand7 defined above, aad (42.13) Functions of complex arguments are useful in the discussion of wave equations (Chapter 8). We write the complex conjugate, f*, ofa complex function, fby replac- ing i wherever it occurs by ~i For instance, the complex conjugate of eis e*. ‘Complex exponential Functions may be weitten in terms of tigonumetric Fane tions. For example, e*=cosxtisinx (ania) which implies that cosxatersei) (A215) sinx= tile") (2.16) 22.3 Vectors ‘A vector quantity has both magnitude and direction. The vector shown in Fig. A2.1 hhas components on the % y, and 2 axes with magnitudes vy vy and vy respectively ‘The vector may be represented as nitu,jtu,k (27) where i,j, and kare unit vectors, vectors of magnitude 1, pointing along the positive directions on the x,y, and zaxes, ‘The magnitude of the vector is denoted vor [| and isgivenby ochre? vais) Using ths representation, we ean define the following vector operations: 1 Addition and subtraction. Ifu= ,i veu=(v, tu )it (uty) +(uctuyk (a9) u,jtukand u=u,i+u,j-+ uk, then A graphical method for adding and subtracting vectors is sometimes desirable, as we saw in Chapters 10 and 18. Consider two vectors v and a making an angle 0 (Pig. A225). The fast sey it Ore dition: of wy v vonsint OF joining the tal OF v to the head ofu, as shown in Fig. A22b. Inthe second step, we draw a Vector Yj the resultant veetor, originating from the tal of u tothe head of vas shown in Fig. A2.2e Reversing the order of addition leads to the same result. That is, we obtain the same tj, whether we add vto (Fig. A2.2c) oF u 10 v (ig. A233). “To calculate the magnitude of tj, we note that ¥, 1, and Uj. form a triangle and that we know the magnitudes of two of ts sides (v and 1) and of the angle between ‘them (180° — 6; see Fig. A2.2c). To calculate the magnitude ofthe third sie, vey We make use of the law of cosines, which states that: For a triangle with sides a,b and c,and angle C facing side =a? +6"—2ab cos C ‘This lew is summatized graphically in Fig. A24 and its application to the case shown in Fig, A2.2c leads tothe expression A2.4 DIFFERENTIATION ANDINTEGRATION 965 a€ | c= (e+ Hi ~2ab eos C)" ol ‘g.sze The graphical representation ofthe Paz ‘The grephical method for law of cosines. subtraction of the vector u from the vector 1 (shown in Fig. 2.20) consists of two steps: (2) reversing the direction of w to formu, and (b) ang ute v. 12. = 0+ 1? 20108 (180"~ 8) Because cos (180° — 6) = cos 0 i follows after taking the square-root of both sides of the preceding expression that Uyg5= (07 +12 + 201 cos 8)! (A220) “The subtraction of vectors follows the same principles outlined above for addition, ‘Consider again the vectors shown in Fig, A22a. We note that subtraction of u from v amounts to addition of ~u to v It follows that in the first step of subtraction We draw by reversing the direction of (Fig, A2.5a) Then, the second step consists of adding the -tetowby using the strategy shown in Fig, A2.2c: we raw a resultant vectorv,.by joining the tal of —wto the head of v. 2 Multiplication. ‘There are two ways to multiply vectors. In one procedure, the cross-product of two vectors wand visa vector defined as asin 6) (azaia) where @is the angle between the two vectors and I isa unil vector perpendicular to ‘both wand e, with # dizection determined as in Fig. A2.6. An equivalent definition is xe! ene weom |i, m,n] =Cypy—m im (up—ugy +(e, mya (42210) where the structure in the middle is @ determinant (sce below). The second type of vector multiplication isthe scalar product (or dot product) of two vectors wand v: -v=uvcos 8 (A222) ‘Asits name suggests, the scalar product of two vectors sa scalar. Calculus 42.4 Differentiation and integration Rates of change of functions—slopes of their graphs—are best discussed in terms of the infinitesimal calculus. The slope of a function, like the slope ofa hill is obtained by dividing the rise ofthe hillby the horizontal distance (Fig. A2.7). However, because usin é\}y ¥ (a) >” x z sino eave “The direction of the cros- produets of two vectors wand» with an lange Obetween them: a) > wand (b) vee Note that the cross product, and the unit vector fof eqn A221. ate perpendicular to ‘both wand v bu the direction depends on the order in which the productis taken rg n23 ‘the dope of f(x) atx ffs ‘obtained by makinga series of approximations to the vale ffx +53) — JG) die bythe change nm devote ‘ndallowing to appreach 0 (as indicted bythe vertalines geitingcloser tox). 966 Appendix? MATHEMATICAL TECHNIQUES ‘a.a28 ‘The shaded area isequal to the efit integral of fx) between the limits 2 and b the slope may vary from point to point, we should make the horizontal distance ‘between the points as stall as possible. Infact, we let it become infinitesimally small hence the name infinitesimal calculus. The valucs ofa function fat two locations x and x-+ rare flx) and flx+ 8x), respectively. Therefore the slope of the function fat vis the vertical distance, which we write 6f, divided by the horizontal distance, which ve write Bx: riseinvalue __8f _fle+82)—fla LL horizontal distance 8x a (A223) “The slope at «itself is obtained by letting the horizontal distance become zero, Which ‘ve write lim 8x—> 0. In this limit, the 8 is replaced by a d, and we write flor x) =f) (A224) = (A224) ff Slope at x=5°= lim “To work out the slope of any function, we work out the expression on the right: this process is called differentiation and the expression for dffdxis the derivative of the function f with respect to the variable x. Some important derivatives are given inside the front cover of the text, Most of the fonctions encountered in chemistry can be

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