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Benzene and Cyclopentane Saturation Calculations

The document provides sample calculations to determine properties of a benzene-cyclopentane mixture at equilibrium using activity coefficient models. It involves iterative calculations to determine: 1) Initial temperature guesses for each pure component 2) Vapor pressures at the initial temperature 3) Activity coefficients at the initial temperature 4) Fugacity coefficient 5) New vapor pressure using the fugacity coefficient 6) New temperature and repeating until temperatures converge.

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Tengku Ashraf
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5 views4 pages

Benzene and Cyclopentane Saturation Calculations

The document provides sample calculations to determine properties of a benzene-cyclopentane mixture at equilibrium using activity coefficient models. It involves iterative calculations to determine: 1) Initial temperature guesses for each pure component 2) Vapor pressures at the initial temperature 3) Activity coefficients at the initial temperature 4) Fugacity coefficient 5) New vapor pressure using the fugacity coefficient 6) New temperature and repeating until temperatures converge.

Uploaded by

Tengku Ashraf
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as DOCX, PDF, TXT or read online on Scribd

Sample calculation

Given:

(𝐴 + 3𝐵) 2 4𝐵 3 Where,
𝑙𝑛𝛾1 = 𝑥2 − 𝑥
𝑅𝑇 𝑅𝑇 2 A=1402 J/mol

B=76 J/mol
(𝐴 − 3𝐵) 2 4𝐵 3
𝑙𝑛𝛾2 = 𝑥1 + 𝑥
𝑅𝑇 𝑅𝑇 1
Pressure:1.23bar/123kPa

BENZENE (1) CYCLOPENTANE (2)


A 13.7819 13.9727
B 2726.81 2653.90
C -55.578 -38.640

1. Find T guess
𝐵
𝑇1 𝑠𝑎𝑡 = −𝐶
𝐴 − 𝑙𝑛𝑃
2726.81
𝑇1 𝑠𝑎𝑡 = − (−55.578)
13.7819 − 𝑙𝑛123
𝑇1 𝑠𝑎𝑡 = 359.58𝐾

𝐵
𝑇2 𝑠𝑎𝑡 = −𝐶
𝐴 − 𝑙𝑛𝑃
2653.90
𝑇2 𝑠𝑎𝑡 = − (−38.640)
13.9727 − 𝑙𝑛123
𝑇2 𝑠𝑎𝑡 = 328.35𝐾

Tguess = x1 T1 sat + x2 T2 sat =343.97K

2. Find 𝑃1 𝑠𝑎𝑡 & 𝑃2 𝑠𝑎𝑡


𝐵
ln𝑃1 𝑠𝑎𝑡 = 𝐴 −
𝑇+𝐶
2726.81
ln𝑃1 𝑠𝑎𝑡 = 13.7819 −
343.97 + (−55.578)
𝑃1 𝑠𝑎𝑡 = 75.69𝑘𝑃𝑎

𝐵
ln𝑃2 𝑠𝑎𝑡 = 𝐴 −
𝑇+𝐶
2653.90
ln𝑃2 𝑠𝑎𝑡 = 13.9727 −
343.97 + (−38.640)

𝑃2 𝑠𝑎𝑡 = 196.53𝑘𝑃𝑎

3. Find 𝛾1 & 𝛾2
(𝐴 + 3𝐵) 2 4𝐵 3
𝑙𝑛𝛾1 = 𝑥2 − 𝑥
𝑅𝑇 𝑅𝑇 2
(1402 + 3(76)) 4(76)
𝑙𝑛𝛾1 = (0.5)22 − 0.53
8.314(343.97) 8.314(343.97) 2
𝛾1 = 1.1379

(𝐴 − 3𝐵) 2 4𝐵 2
𝑙𝑛𝛾2 = 𝑥2 + 𝑥
𝑅𝑇 𝑅𝑇 2
(1402 + 3(76)) 4(76)
𝑙𝑛𝛾2 = (0.5)12 + 0.53
8.314(343.97) 8.314(343.97) 1
𝛾2 = 1.1229

4. Find 𝛼

𝑃1 𝑠𝑎𝑡
𝛼=
𝑃2 𝑠𝑎𝑡
75.68
𝛼=
196.50
𝛼 = 0.3851

5. Find new 𝑃1 𝑠𝑎𝑡

𝑃
𝑃1 𝑠𝑎𝑡 =
(𝛾2 )(𝑋2 )
(𝛾1 )(𝑋1 ) + 𝛼
123
𝑃1 𝑠𝑎𝑡 =
(1.1229)(0.5)
(1.1229)(0.5) +
0.3851
𝑃1 𝑠𝑎𝑡 = 60.69𝑘𝑃𝑎

6. Find 𝑇1 𝑠𝑎𝑡 & compare with T guess

𝐵
𝑇1 𝑠𝑎𝑡 = −𝐶
𝐴 − 𝑙𝑛𝑃
2726.81
𝑇1 𝑠𝑎𝑡 = − (−55.578)
13.7819 − 𝑙𝑛60.69
𝑇1 𝑠𝑎𝑡 = 337.39𝐾

Do iteration until T guess= New 𝑇1 𝑠𝑎𝑡 and then stop calculation

Iteration T1sat T2sat Tguess P1sat (kPa) P2sat(kPa) γ1 γ2 α new P1sat(kPa) new Tsat(kPa)
1 359.58 328.35 343.97 75.68 196.50 1.1379 1.1229 0.3851 60.69 337.39
2 337.39 60.69 162.26 1.1408 1.1254 0.3740 59.28 336.70
3 336.70 59.28 158.99 1.1411 1.1257 0.3728 59.13 336.63
4 336.63 59.13 158.64 1.1411 1.1257 0.3727 59.11 336.62
5 336.62 59.11 158.61 1.1411 1.1257 0.3727 59.11 336.62

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