Professional Documents
Culture Documents
Calculations
(CHE 341)
By
Engr. Dr. O.U. Osazuwa (AMIChemE)
Course Outline
• Introduction to equipment in a chemical plants (heat transfer, mass transfer
equipment and physical processes equipment).
• Chemical equation and stoichiometry: limiting reactant, excess reactant,
conversion, selectivity and yield.
• Material balances: Calculations for steady state systems involving inert, recycle,
by-pass and purges.
• Energy Balances: Forms of energy and overall energy balance for a chemical
system. Heat capacities. Calculation of enthalpy changes: heats of fusion,
vaporization, reaction, formation and combustion, solution and mixing.
• Combined material and energy balances. Enthalpy-concentration charts-
application and construction.
Introduction to process equipment in a chemical plants
For the purpose of this course: physical, heat & mass transfer equipment.
Industrial Process equipment: what are industrial process equipment?
• Uses physical or chemical methods to add value to a raw material or product.
Mass Transfer Equipment:
• Movement of mass in an equipment from one location to another (i.e., phase, stream, fraction or component).
• Mass transfer processes include evaporation, absorption, precipitation, membrane filtration, drying,
crystallization & distillation.
• Physical process equipment: Equipment where there exit material changes through a series of states.
Heat Transfer Equipment: what are heat transfer process equipment?
• Transfers heat from a hot fluid to cold fluid.
• Exchange of thermal energy between physical systems.
• Heat transfer indicates energy transfer from one place to another (temperature is a measure of the thermal
energy).
Class Engagement
1. Which of these processes is/are physical processes. (a)burning fuels, (b) dissolving salt
in water (c ) freezing water into ice.
2. Which of the following is/are physical processes?
(a) Change in shape with no bond breakage (b) change in state of matter (when ice
melts into water, or when water becomes a vapor) (c)hydrolysis of starch into water (d) both
(a) & (b).
Process Equipment in
industrial Chemical Plant
Phases Operations
contacting
• Mass transfer & heat transfer equipment,
physical process equipment.
Gas-liquid Distillation, gas absorption,
stripping, humidification
• Industrial processes operates as continuous
processes while small production process Liquid- Solvent extraction
use batch modes. liquid
• Turbulent mixing is needed while heating
Gas-solid Drying, Adsorption
& cooling are employed to maintain process
operating conditions. Liquid-solid Leaching, crystallization, ion
• Interphase mass transfer equipment are exchange
classified in 4 categories.
Reactor
• An equipment unit in a chemical
process.
• An enclosed volume where reaction
takes place (batch & continuous).
• Chemical reaction/transformation
takes place to generate desirable
products.
• Configuration & operating
conditions are selected to achieve
objectives (e.g., maximize profit/product, minimize
Distillation
column
• A unit equipment used to separate
two or more mixture into its
individual components.
• Multi components can also be
separated in a complex distillation
system.
• Reflux ratio: Ratio of the amount of
mole returned as reflux liquid to the
fractionating column & the amount of
moles of final product per unit time.
Gas Absorber
• Absorption process is a gas-liquid mass
transfer process where a component is
transferred from a gas phase to a liquid
phase.
• Used for the removal of one or more
component from a gas mixture using a
suitable liquid.
• Absorption can be physical & chemical
(read up).
• Absorption rate is determined by the rate
of molecular diffusion.
Compressor & Pumps
Compressor
• increases pressure of a gas by reducing its
volume.
• Axial flow or radial/centrifugal flow.
Pumps
• Used to move fluids.
• Increases the mechanical energy of the fluid,
thereby increasing the velocity (flowrate) &
Pressure (elevation).
Heat Exchanger
yields
𝐶 + 𝑂2 𝐶𝑂2
In terms of mol, & mass respectively:
1 mol of C reacts with 1 mol of O2 to give 1 mol of CO2.
12 g of C react with 32 g O2 to yield 44 g CO2.
Stoichiometry equation: relates the number of moles or mass
of reactants to those of the products of the reaction.
• For a valid stoichiometric equation: the sum of the masses of
the reactants must be equal to the mass of the product(s).
Stoichiometry
% excess reactant =
𝑫 + 𝐴՜𝐸 + 𝐹
Assuming:
• C is the desired product & D is the undesired product.
• If D reacts with A to form more undesired product D is said to be competing
with C.
• Hence, there will be a net reduction of the selectivity & yield of the desired
product.
• The selectivity & yield show the extent to which the desired reaction
Stoichiometry & industrial processes
Note
These classes must be identified before a material balance is obtained for a
process.
Classification of Processes
batch process: reactants (input) are fed into a vessel at the start of the
process and removed (unreacted & products) later.
Continuous process: reactants & products (input & output) flow continuously
through out the process.
Steady state: when process variables does not change with time.
• Batch & semi batch processes are unsteady state operations. Why?
• Continuous processes may be steady-state or transient. Why?
Batch processes are used for small scale production & production is to be
carried out in single runs.
Continuous processes are suited to large production rates.
Continuous processes are operated at as close to steady state as possible,
however, unsteady state conditions exist at process start-up
Class engagement
H2 gas
𝑚 ሶ 𝑖𝑛𝑘𝑔/ℎ
Process Unit
H2 gas
𝑚ሶ 𝑜𝑢𝑡 𝑘𝑔/ℎ
Balances: The General Balance Equation
H2 gas
𝑚 ሶ 𝑖𝑛𝑘𝑔/ℎ Process Unit
𝑚 ሶ 𝑖𝑛 𝑚ሶ 𝑜𝑢𝑡
≠ H2 gas
𝑚ሶ 𝑜𝑢𝑡 𝑘𝑔/ℎ
Possibilities for unequal mass flowrate of H2
1. H2 is consumed as a reactant or generated as a product.
2. H2 is accumulated in the unit.
3. H2 leakage
4. Wrong measurements
Balances: The General Balance Equation
H2 gas
𝑚 ሶ 𝑖𝑛𝑘𝑔/ℎ Process Unit
𝑚 ሶ 𝑖𝑛 𝑚ሶ 𝑜𝑢𝑡
≠ H2 gas
𝑚ሶ 𝑜𝑢𝑡 𝑘𝑔/ℎ
Assuming the measurements are correct & there are no leaks, a
balance on a conserved quantity e.g., mass or energy in the system
(process unit) is:
Each year 50,000 people move into a city 75, 000 people move out,
22,000 are born, & 19,000 die. Write a balance on the population of
the city.
Let P represent People.
50,000 P/yr. (enters) + 22,000 p/yr. (is produced) – 75,000 (leaves)– 19,000 p/yr.
(consumed) =
accumulation (built up)
Accumulation = -22,000 p/yr.
Meaning each year population will decreases by 22,000 people.
Balances: Types of balances
1. Differential Balances:
• Balances related to a system performance at a particular instance or time.
• The balance eqn. term is a rate (e.g., rate of input, i.e., barrels/day etc).
• Applied to continuous processes.
2. Integral balances:
• Balances related to a system performance between two-time instances
(during input & output).
• The term in the balance eqn. is an amount of the balanced quantity & has
the corresponding unit (e.g., g CO2, barrels etc).
• Applied in a batch process.
Rules for material balance equation.
Benzene balance :
𝒎ሶ 𝟐= 50 kg B/h
Material balances on a Continuous distillation process.
Toluene balance :
𝒎ሶ 𝟏= 25 kg T/h
Material balances on a Continuous distillation process.
To check:
Total mass balance:
Initial input (enters) + generation (is produced) = Final output (leaves) + consumption
(consumed)
Material balance on a batch mixing process (integral balances).
Example :
Two methanol-water mixtures are contained in separate flasks.
The first mixture contains 40 wt.% methanol, and the second
contains 70 wt.% methanol. If 200 g of the first mixture is
combined with 150 g of the second, what are the mass and
composition of the product?
Material balance on a batch mixing process (integral balances).
Y = 0.529 g CH3OH/g
Material balance on a batch mixing process (integral balances).
Y = 0.529 g CH3OH/g
Material balance on a batch mixing process: Class activity
input = output
165 g H2O = 165 g H2O
Integral balances on semi-batch and continuous processes.
Two steps:
• Write a differential balance on the system.
• Integrate the system between two instants of time.
Integral balances on semi-batch and continuous processes.
Accumulation term:
Total moles of hexane evaporated = -10 m3 = -10,000 L
Density of Hexane = 0.659 kg/L
Mass = Volume x Density = - 6590 kg
Recall : molar mass of hexane = 86.2 g/mol.
accumulation = -76.45 kmol
Accumulation term: total change in the moles of hexane in
the system during tt (min)= time required.
• In this case accumulation is negative (hexane is removed).
Integral balances on semi-batch and continuous processes.
Output term:
Mole fraction of gas stream leaving contains 10 mole%
hexane vapor = 0.1.
Flowrate of gas exiting the system = n = 0.111 kmol/min
tt (min)= time required to vapourize 10 m3 of hexane.
Accumulation = -output
tt = 6,887 min
Material Balance Calculations
Steps:
1. Draw a flowchart of the process to represent process
units (reactors, mixers, separation units etc.) using
boxes, & lines to represent inputs and outputs.
2. Fully label the flowchart at the initial stage with
values for known process variables & symbols for
unknown variables being written for each input &
output stream.
Procedure: contd.
1. Write the values & units of all known stream variables at the
locations of the streams on the flowchart.
E.g.
A stream containing 21 mole% O2 and 79% N2 at 320 ℃ & 1.4 atm
flowing at a rate of 400 mol/h might be labeled.
400 mol/h
0.21 mol O2/mol
0.79 mol N2/mol
T = 320 ℃, P = 1.4 atm
Labeling a flowchart for material balance calculations
d mol C3H8
e mol O2 d mol C3H8
a mol C3H8
e mol O2
Combustion
Condenser
Chamber
g mol H2O
Class activity: Flowchart of an air humidification & oxygenation process.
Tips:
• Label all stream flowrates on the basis of the given flowrate (20
cm3 H2O/min).
• Write the O2 flowrate (0.2 ň1) in terms of the air flowrate (ň1).
• Mole fractions of the components of any stream must add up to
1.
E.g. – in the outlet stream
mole fraction of H2O (0.015), O2 (y) & N2 (0.985-y) = 1
Solution: Flowchart of an air humidification & oxygenation process.
If ndf= 0,
• The problem can be solved (n unknowns & n independent eqns.).
If ndf > 0,
• Underspecified and has infinitely many solutions- can not be
solved (More unknowns than independent eqns.)
If ndf < 0,
• Flowchart is incompletely labeled or the problem is over specified
with redundant & inconsistent relations- can not be solved (more
independent eqns. than unknowns).
General procedure for process material balance calculations
Read up
Balances on reactive processes: Balances on Molecular & atomic species
40 kmol H2 min-1
Note:
The balance could be written for:
1. Atomic C & H balance (input = output)- atoms can neither be
created (generation =0) nor destroyed (consumption =0) in a
chemical rxn.
2. Molecular H2, C2H6, C2H4 (input +generation = output +
consumption).
• Generation term – (H2, C2H4 )
• Consumption term – (C2H6)
Balances on reactive processes: Balances on Molecular & atomic species
100 mol C2H6 min-1 = ň1 (mol C2H6 min-1) + Cons C H (mol C2H6
2 6
consumed min-1).
Balances on reactive processes: Balances on Molecular & atomic species
Note
Gives same results but convenience differ for different problems
Extent of reaction
Fractional excess of A =
((nA)feed - (nA)stoich )/ (nA)stoich
Example: hydrogenation of acetylene to form ethane.
C2H2 + 2H2 C2H6
20 kmolh-1 of acetylene & 50 kmolh-1 of H2 are fed to a reactor.
The stoichiometric ratio of H2 to acetylene is 2:1, & since the
ratio of H2 to C2H2 in the feed is 2.5 :1 (50:20), H2 is fed in a
greater than stoichiometric proportion to acetylene. Acetylene
is therefore the limiting reactant.
Determining the fractional excess
Example.
Consider the ammonia formation reaction.
N2 + 3H2 2NH3
The feed to a continuous reactor consists of 100 mol s-1 of
nitrogen, 300 mol s-1 of hydrogen, & 1 mol s-1 of argon (inert
gas). Write the equations for the extent of reaction for this
process. For a fractional H2 conversion of 0.6, calculate the
outlet flow rate of H2, the extent of reaction, & the outlet
flow rates of N2 & NH3.
Limiting & Excess Reactants, fractional Conversion, & Extent of
reaction
Extent of reaction–
No. of degrees of freedom =
No. of unknown labeled variables + No. of independent reactions (one
extent of reaction for each) – No. of independent reactive species
(one equation for each species in terms of extents or rxn) –No. of
independent nonreactive species ( one balance eqn. for each) - No. of
other eqns. relating the unknown variables.
Note
1. Internal energy in a closed system:
• depends on the chemical composition, state of aggregation
(solid, liquid & gas), & temp of the system materials.
• independent of the pressure for ideal gases & almost
independent of pressure for liquids & solids.
• If there are no temp changes, phase changes or chemical
rxns ΔU ≡ 0
Deriving the basic form of the first law of thermodynamics for
a Closed Systems
Note
2. If the system is not accelerating ΔEk =0. if the system
is not rising or falling, then ΔEp = 0.
3. If a system & its surroundings are at the same
temperature or the system is perfectly insulated the Q =
0 (adiabatic).
Deriving the basic form of the first law of thermodynamics for
a Closed Systems
Note
4. If there are no moving parts or electrical currents or
radiation at the system boundary, then W = 0.
Work done on or by a closed system is carried out by
movement of the system boundary against a resisting
force or the passage of an electrical current or radiation
across the system boundary.
Class Activity
25℃ 100℃
Open system:
• Has mass crossing its boundaries during the process.
• Work is done to push mass in, & work is done on the surroundings
by the emerging mass.
• Recall: The first law of thermodynamics for an open system at
steady state:
Input = Output
• What happens to the accumulation, generation, & consumption
terms of the general balance eqns?
Energy Balance on an open system at steady state
σ𝒐 Ej𝒐 - σ𝒊 Eji = Q – W
if mj, Ekj, & Uj = mass, kinetic energy, potential energy
& internal energy for the jth process stream.
Total rate at which energy is transported into & out of
the system is:
Energy Balance on an open system at steady state
Ej = Uj + Ekj + Epj
Uj = mjuj
Ekj = ½ mjuj2
Epj = mjgzj
Ej = mj (Uj + ½ u2 + gz)
The total work (W) done by the system on its surroundings
equals the shaft work (Ws) + the flow work (Wfl)
Energy Balance on an open system at steady state
Recall: Hj = Uj + PjVj
H = specific enthalpy
Substituting Hj into the equation:
σ𝒐 mjo[Hjo + 1/2 u2 + gzjo] -σ𝒊 mji[Hji + 1/2 u2 + gzji]= Q – Ws
ΔH + ΔEk + ΔEp = Q - Ws
Practice question on energy balance
Two streams of water are mixed to form the feed to a boiler. The process
data are as follows.
Feed stream 1 = 60 kg hr-1 at 30 ℃, specific enthalpy=125.7 kJ kg-1
Feed stream 2 =50 kg hr-1 at 65 ℃, specific enthalpy= 271.9 kJ kg-1
Boiler pressure = 17 bar (absolute)
Saturated stream: 204℃, specific enthalpy= 2793 kJ kg-1
Specific volume of saturated steam at 17 bar is 0.1166 m3 kg-1.
The exiting steam emerges from the boiler through a 50 cm ID pipe.
calculate the required heat input to the boiler in kilojoules per seconds if
the emerging steam is saturated at the boiler pressure. Assume the kinetic
energies of the liquid inlet stream is negligible.