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Chemical Formulas Given Conditions Notations

The document provides information to calculate activity coefficients (γ1 and γ2) for a binary system of methanol (1) and carbon tetrachloride (2) at 293.15 K using UNIFAC. It lists subgroup parameters from UNIFAC tables, calculates interaction parameters, and then determines the values needed to solve for the activity coefficients - Ji, Li, lnγiC, Ai, and lnγiR - at various compositions from x1 = 0 to 1. Experimental vapor-liquid equilibrium data is also given to compare to calculated values.

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DANICE LUNA
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37 views4 pages

Chemical Formulas Given Conditions Notations

The document provides information to calculate activity coefficients (γ1 and γ2) for a binary system of methanol (1) and carbon tetrachloride (2) at 293.15 K using UNIFAC. It lists subgroup parameters from UNIFAC tables, calculates interaction parameters, and then determines the values needed to solve for the activity coefficients - Ji, Li, lnγiC, Ai, and lnγiR - at various compositions from x1 = 0 to 1. Experimental vapor-liquid equilibrium data is also given to compare to calculated values.

Uploaded by

DANICE LUNA
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as XLSX, PDF, TXT or read online on Scribd
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For the binary system methaol (1)/carbon tetrachloride (2) at 293.15 K, find γ1 and γ2 for various x1 and x2.

Chemical Formulas Given Conditions Notations


methanol (1) carbon tetrachloride (2) x1 1.00 species
CH3-OH CCl4 T(K) 293.15 subgroup
Step 1: Values from Table of UNIFAC-VLE Subgroup Parameters Step 2: r and q values
Subgroup k Rk Qk vk(1) vk(2) main grp.
CH3 1 0.9011 0.848 1 0 1 Species
OH 15 1.0000 1.200 1 0 5 (1)
CCl4 53 3.3900 2.91 0 1 24 (2)
Step 4: Values from Table of UNIFAC-VLE Interaction Parameters Step 6: βik, θk, and sk values
amk (K) k=1 k=5 k = 24
m=1 0 986.5 104.3 βik
m=5 156.4 0 143.1 i k=1
m = 24 -78.45 856.3 0 1 0.7577
2 1.3068
Step 5: τmk values, in K (T = given T)
θk 0.4141
τmk (K) k=1 k=5 k = 24
sk 0.7577
m=1 1.0000 0.0346 0.7006
m=5 0.5865 1.0000 0.6138
m = 24 1.3068 0.0539 1.0000

Note:
Values for Rk, Qk, and amk are obtained from
http://www.aim.env.uea.ac.uk/aim/info/UNIFACgroups.html
or various x1 and x2.

Notations
i, j
k, m
Step 2: r and q values Step 3: eki values

r q eki
1.9011 2.0480 k i=1 i=2
3.3900 2.9100 1 0.4141 0.0000
15 0.5859 0.0000
ep 6: βik, θk, and sk values
53 0.0000 1.0000
Step 7: Parameters to Solve for γi
βik
k=5 k = 24 Parameter i=1 i=2
0.6002 0.6497 Ji 1.0000 1.7832
0.0539 1.0000
0.5859 0.0000 Li 1.0000 1.4209

0.6002 0.6497 ln γiC 0.0000 0.2005

Ai =
Ai 1.0000 0.3355

ln γiR 0.0000 1.9337

γi 1.0000 8.4504
Methanol (1)/Carbon Tetrachloride (2) System at 20°C (293.15 K) 180.0

Experimental Calculated using UNIFAC 160.0


P (mm Hg) x 1
y1
γ 1
γ2 P (mm Hg) y1
140.0
91.305 0.0000 0.0000 25.8909 1.0000 91.3052 0.0000
136.600 0.0200 0.3440 18.8330 1.0031 126.4873 0.2904 120.0
146.400 0.0400 0.3910 14.4475 1.0113 144.9962 0.3886
100.0

P (mm Hg)
154.800 0.1000 0.4300 7.9775 1.0563 164.5916 0.4726
158.000 0.2000 0.4490 4.2299 1.1783 168.5632 0.4894 80.0
159.500 0.3000 0.4620 2.7803 1.3534 167.8339 0.4846
159.900 0.6000 0.4940 1.3632 2.3884 166.9876 0.4776 60.0
157.500 0.7000 0.5120 1.1918 3.0651 165.3087 0.4921 40.0
152.000 0.8000 0.5460 1.0826 4.0900 159.1424 0.5307
135.500 0.9000 0.6620 1.0206 5.7184 141.7789 0.6317 20.0
117.200 0.9600 0.7920 1.0033 7.1763 120.1319 0.7818
0.0
97.511 1.0000 1.0000 1.0000 8.4504 97.5113 1.0000 0.00 0.10 0.20 0.30 0.40 0

x1
Experimental P-x Experimental P-y

0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00

x1,y1

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