Faculty of Chemical Engineering

CHE553 Chemical Engineering Thermodynamics

ASSIGNMENT 2
*Group assignment 2 or 3 persons per group. For question 1(c), 2 and 3, use Microsoft Excel for
calculation and plotting graphs.
1. The following table is a set of VLE data for the system methanol(1)/water(2) at 60oC (333.15K).
a) Prepare a P-x1-y1 diagram that compares the experimental data with values calculated from
Wilson and NRTL equations.
b) Prepare diagrams that show the residuals P and y1 plotted vs. x1 for both models.

P Pcalc Pexp
y1 y1

calc

y1exp

(Attach the calculation values in Microsoft Excel. Show a sample of calculation in part (a) and
(b) for each model.)
P (kPa)
19.953
39.223
42.984
48.852
52.784
56.652
60.614
63.998
67.924
70.229
72.832
84.562

x1
0.0000
0.1686
0.2167
0.3039
0.3681
0.4461
0.5282
0.6044
0.6804
0.7255
0.7776
1.0000

y1
0.0000
0.5714
0.6268
0.6943
0.7345
0.7742
0.8085
0.8383
0.8733
0.8922
0.9141
1.0000

2. Usually, students in the chemical engineering department carry out vapor-liquid equilibrium
measurements for the system n-hexane (1) and benzene (2). Using UNIFAC, estimate the activity
coefficients for a mixture of 0.6 mole fraction hexane and 0.4 mole fraction benzene at 344 K.
Comment on the results regarding the values of the activity coefficients and possible and
plausible explanation. The reported values are 1 = 1.15, and 1.60. The following table shows the
subgroups and their identification numbers k, values of parameters Rk and Qk, and the number
of each subgroup in each molecule:
Table 1 : UNIFAC starting of calculations for n-heptane-benzene system : Summary of groups
n-hexane (1)
Benzene (2)
Subgroup
k
Rk
Qk
CH3
CH2
CH2NH

1
2
10

Date of submission: 17 June 2014

0.9011
0.6744
0.5313

0.848
0.540
0.400

2
4
0

0
0
6

Faculty of Chemical Engineering

CPE553 Chemical Engineering Thermodynamics

3. Methanol is synthesized by the following reaction:

CO g 2H2 g CH3OH g
Initially, the feed mixture of carbon monoxide and hydrogen are in stoichiometric proportions. By
assuming the equilibrium mixture is an ideal solution,
a) Determine the equilibrium composition of each species at 100 bar and 538.15 K.
b) If the pressure is increased to 150 bar while the temperature is kept constant at 538.15 K,
determine the equilibrium composition of each species. Comment the effect of increasing
pressure at constant temperature on the direction of reaction, reaction coordinate and
compositions.
c) If the temperature is increased to 623.15 K while the pressure is kept constant at 100 bar,
determine the equilibrium composition of each species. Comment the effect of increasing
temperature at constant pressure on the direction of reaction, reaction coordinate and
compositions.

th

Date of submission: 28 November 2012