Assistant: Diego Flores Uribe

PRACTICE N°1
PROCESS SIMULATION
Professor: M. Sc. Eng. José Luis Zamorano Escalante
Publication date: February 11, 2025
Date of presentation: to be defined in class
EXERCISE #1
Consider the following mixture that is coming out of a methanol reactor: CO, 100 kmol/h; H2, 200
kmol/h; methanol, 100 kmol/h. The gas is at 100 atm and 300C. Compute the specific volume
using: (1) ideal gas law; (2) Redlich –Kwong equation of state; and (3) Redlich –Kwong –Soave
equation of state. The acentric factors for the RK –Soave method are: CO, 0.049; H2, –0.22;
methanol, 0.559. Where did you get the other data you needed? How do the three answers compare?
Is the gas ideal or not? Comment. Solve the problem by two methods of your choice and compare.
EXERCISE #2
(a) Calculate the vapour pressure of water at 120°C using the Peng-Robinson cubic equation of
state. For water: TC = 647.1 K, PC = 220.55 bar, and ω = 0.345. Solve the problem by a different
method from exercise 1.
(b) Calculate the adiabatic flame temperature of a gas initially at 25°C containing 1 mol C2H6 (1),
5 mol O2 (2), 10 mol CO2 (3) and 0 mol of H2O (4). The ethane is completely burned. The standard
heat capacity is given by CP0 = a + bT + cT 2 + dT 3 where T is in K and CP0 in cal/mol-K.
Table 1. standard heat capacity parameters
Species a b×102 c×105 d×109
C2H6 1.648 4.124 -1.530 1.740
O2 6.085 0.3631 -0.1709 0.3133
CO2 5.316 1.4285 -0.8362 1.784
H2O(g) 7.700 0.04594 0.2521 -0.8587
0 0
The standard enthalpy of formation at 298.15 K is: ΔHf,CO 2
= -94.052 kcal/mol, ΔHf,H 2O
= -57.7979
0
kcal/mol, and ΔHf,C2H6 = -20.236 kcal/mol. Solve the problem by a different method from exercise
1 and subclause (a).
EXERCISE #3
Consider a 1000-l CSTR in which the following reactions are taking place:
A + B → C rR1 = k1 cA cB
C + B → D rR2 = k 2 cB cC
A→E rR3 = k 3 cA
We have the following kinetic data
l l
k1 (298 K) = 2.1 × 10−2 k1 (315 K) = 3.6 × 10−2
mol s mol s
l l
k 2 (298 K) = 1.5 × 10−2 k 2 (315 K) = 4.5 × 10−2
mol s mol s
k 3 (298 K) = 0.00012 s −1 k 3 (315 K) = 0.00026 s −1
We feed a stream at a volumetric flow rate of 0.1 l/s containing A, B, and a diluent solvent, with
cA0 = 0.5 M and varying γ = cB0/cA0. Assuming isothermal operation, and neglecting any volume
change due to reaction, plot the conversion of A as a function of temperature and γ.
EXERCISE #4
Find the composition of the liquid and vapour phases for the acetone (1)– water (2) system at 100°C
and 200 kPa. The feed composition is z1 = 0.5. The Antoine equations of the components are given
by
Assistant: Diego Flores Uribe
2795.817 3799.887
ln P1sat = 14.39155 − , ln P2sat = 16.26205 −
T + 230.002 T + 226.346
where the temperature is in °C and the vapour pressure in kPa. The parameters in the Wilson
equation are: a12 = 292.66 cal/mol and a21 = 1445.26 cal/mol. The molar volume of the components
is V1 = 74.05 cm3/mol and V2 = 18.07 cm3/mol. Assume the system to follow the modified Raoult's
law. Solve the problem using two different methods than those used in exercise 1 and 2.
EXERCISE #5
The following equations can be shown to relate the temperatures and pressures on either side of a
detonation wave that is moving into a zone of unburned gas:
γ2 m2 T1 P2 2 P2
( ) − (γ2 + 1) ( ) + 1 = 0
m1 T2 P1 P1
ΔHR1 T2 (γ2 − 1)m2 P2 m1 T2 P1
+ −1= ( − 1) (1 + )
cp2 T1 T1 2γ2 m1 P1 m2 T1 P2
Here T = absolute temperature, P = absolute pressure, γ2 = ratio of specific heat at constant pressure
to that at constant volume, m5mean molecular weight, ΔHR1 = heat of reaction, cp2 = specific heat,
and the subscripts 1 and 2 refer to the unburned and burned gas, respectively.
Write a program that accepts values for m1, m2, γ2, ΔHR1, cp2, T1, and P1 as data, and that will
proceed to compute and print values for T2 and P2, solve the problem with two different methods.
Run the program with the following data, which apply to the detonation of a mixture of hydrogen
and oxygen:
m1 = 12 g/g mol m2 = 18 g/g mol T1 = 300 K γ2 = 1.31
ΔHR1 = −58300 cal/g mol cp2 = 9.86 cal/(g mol ∙ K) P1 = 1 atm
EXERCISE #6
A gas mixture of 50% A and 50% B charged to a constant volume batch reactor in which
equilibrium is quickly achieved. The initial total concentration is 3.0 g-mol/dm3. Three independent
reactions are known to occur.
Reaction 1: A+B↔C+D K C1 (350 K) = 1.06
Reaction 2: C+B↔X+Y K C2 (350 K) = 2.63
Reaction 3: A + X ↔ Z K C3 (350 K) = 5.0 dm3 /g − mol
At 330 K, the equilibrium constants based on concentrations are KC1(330 K) = 0.7, KC2(330 K) =
4.0, and KC3(330 K) = 5.0 dm3/g-mol. (a) Calculate the equilibrium concentrations of all reaction
components at 330 K. (b) Repeat part (a) at 370 K. Solve by two different methods of exercise 5.
EXERCISE #7
The steady state model for a nonisothermal CSTR representing a catalytic converter is:
QCtot (yin − y) = αr(y, T)
̂
QCtot MCpg (T − Tin ) = αV(−ΔHrxn )r(y, T)
0.05k1 y
r= , k = 6.70 × 1010 exp(−12556/T) , K1 = 65.5 exp(961/T)
T(1 + K1 y)2 1
The reaction rate expression is given for oxidizing carbon monoxide on a catalytic
surface. When the inlet mole fraction CO is yin = 0.02, and the inlet temperature is
Tin = 600 K, find the solution to these equations using Wegstein's method and another of your
choice. The parameters are
Q = 0.06555 m3 /s, Ctot = 0.0203 kg mol/m3
α = 26900 m2 /m3 , V = 6 × 10−4 m3
̂ = 30 kg/kg mol
M
Assistant: Diego Flores Uribe

Cpg = 1070 J/kg K, −ΔHrxn = 2.84 × 108 J/kg mol

EXERCISE #8
It is desired to concentrate, in a double-effect evaporator, a solution with an initial solids
concentration of 20% to a final concentration of 60%. Saturated steam at 0.68 atm and the second-
effect evaporator operating at a vacuum pressure of 0.136 atm are available (see Figure 1). If the
feed to the system, 18,240.6 kg/h, enters the first effect at 93.3 °C, determine the areas of the
evaporators, A1 and A2, and the amount of steam required.
V1 = F-L1 V2 = L1-L2
H1 H2

F P 1 , T1 P2, T2
hF(TF,xF) Effect 1 Effect 2

H0(P0,T0)
U1 , A1 U2, A2

L1 L2
hL1(T1,x1) hL2(T2,x2)
V0, h0 V1, h1
Figure 1. double-effect evaporator

Extra data:
Cp, F = 0.9 kcal/(kg °C) U1 = 3516.5 kcal/(hm2 )
Cp, L1 = 0.8 " U2 = 2440.4 "
Cp, L2 = 0.8 "

__________________ _____________________________________
Diego Flores Uribe M.Sc. Chem. Eng. José Luis Zamorano Escalante
Process Simulation Professor’s Assistant Process Simulation Professor