B.Tech. (Chemical Engineering) Eighth Semester (C.B.S.
)
Computational Chemical Engineering
P. Pages : 2 NIR/KW/18/3804
Time : Three Hours *1227* Max. Marks : 80
_____________________________________________________________________
Notes : 1. All questions carry equal marks.
2. Answer any five questions.
3. Due credit will be given to neatness and adequate dimensions.
4. Assume suitable data wherever necessary.
5. Diagrams and chemical equations should be given wherever necessary.
6. Retain the construction lines.
7. Illustrate your answers whenever necessary with the help of neat sketches.
8. Use of slide rule, Logarithmic tables, Steam tables, Mollier's chart, Drawing
instruments, Thermodynamic tables for moist air, Psychrometric charts and
Refrigeration charts is permitted.
9. I. S. I. Hand Book for structural steel Section, I. S. Code 800/1962 or 1964, I. S.
456 (Revised ), I. S. 875 may be consulted.
1. Develop the mathematical model for ideal Binary Distillation column. State the assumptions 16
made clearly.
2. In a chemical engineering process, water vapour ( H2O) is heated to sufficiently high 16
temperatures that a significant portion of the water dissociates, or splits apart, to form
oxygen ( O2 ) and hydrogen ( H2 ) :
1
H 2O H2 + O2
2
If it is assumed that this is only reaction involved, the mole fraction x of H 2O that
dissociates can be represented by
x 2Pt
K=
1− x 2+x
where K is the reaction equilibrium constant and Pt = the total pressure of the mixture. If
Pt = 3 atm and K = 0.05, determine the value of x using bisection method and Newton-
Raphson method and compare the results.
3. Figure shows three reactors linked by pipes. As indicated, the rate of transfer of chemicals 16
through each pipe is equal to a flow rate (Q, with units of cubic meters per second)
multiplied by the concentration of the reactor from which the flow originates, (c, with units
of milligrams per cubic meter). If the system is at steady state, the transfer into each reactor
will balance the transfer out. Develop mass balance equations for the reactors and solve the
simultaneous linear algebraic equations for their concentrations. Use suitable numerical
method.
Q55 = 3
Q15 = 4 c5
Q54 = 3
Q25 = 2
Q01 = 5 Q12 = 4 Q24 = 0 Q44 = 10
c1 c2 c4
c01 = 10
Q23 = 2
Q31 = 3 Q34 = 7
Q03 = 8 c3
c03 = 20
NIR/KW/18/3804 1 P.T.O
4. a) The following data were taken from a stirred tank reactor for the reaction A → B, use these 10
data to determine the best possible estimates for k01,n and E1 for the following kinetic
model.
−E1
dA
− = K 01 e RT A n
dt
where R is the gas constant and equals 0.00198 kcal/mol K.
– dA/dt (moles/L/s) 460 960 2485 1600 1245
A (Moles/L) 200 150 50 20 10
T (K) 280 320 450 500 550
b) What is the criteria for best fit? Explain. 6
5. Use the shooting method to solve following equation for a 10m rod with h = 0.01m−2 , 16
Ta = 20, and the boundary conditions T ( 0) = 40 and T (10) = 200
d 2T
+ h ' ( Ta − T ) = 0.
dx 2
6. The advection - diffusion equation is used to compute the distribution of concentration 16
along the length of a rectangular chemical reactor.
c 2c c
=D −U − kc
t x 2 x
where c = concentration (mg/m3), t = time (min),
D = a diffusion coefficient (m2/mm).
x = distance along the tank's longitudinal axis (m).
where x = 0 at the tank's inlet.
U = velocity in the x-direction (m/min) and
(
k = a reaction rate min −1 )
where by the chemical decays to another form.
Develop an explicit scheme to solve this equation numerically. Test it for k = 0.15
D = 100 and U = 1 for a tank of length 10m.
Use a x = 1m and a step size t = 0.005.
Assume that the inflow concentration is 100 and that the initial concentration in the tank is
zero.
Use explicit method for solving this problem and plot the final resulting concentrations
versus x.
7. Develop the mathematical model for the non-isothermal tubular reactor. State the 16
assumptions clearly.
8. a) Write down the principles of the formulation of the model. What is degrees of freedom? 8
b) What are the different types of mathematical models? State the applications of mathematical 8
modeling.
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NIR/KW/18/3804 2
