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CH en 6853 - Graduate Che Thermodynamics - Fall 2016 Homework #5

This homework assignment involves solving several thermodynamics problems related to multicomponent phase equilibria and chemical reactions. Problem 1 involves calculating phase boundaries for a benzene, toluene, ortho-xylene mixture using Raoult's law. Problem 2 balances a flash calculation for a methanol/water mixture under both ideal and non-ideal conditions. Problem 3 determines parameters for a van Laar activity coefficient model and plots phase boundaries to analyze methyl acetate/methanol separation. Problem 4 derives activity coefficients from an excess Gibbs energy model and calculates phase compositions. Problems 5 and 6 analyze phase diagrams and chemical equilibrium using activity coefficient and reaction thermodynamics models.

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198 views3 pages

CH en 6853 - Graduate Che Thermodynamics - Fall 2016 Homework #5

This homework assignment involves solving several thermodynamics problems related to multicomponent phase equilibria and chemical reactions. Problem 1 involves calculating phase boundaries for a benzene, toluene, ortho-xylene mixture using Raoult's law. Problem 2 balances a flash calculation for a methanol/water mixture under both ideal and non-ideal conditions. Problem 3 determines parameters for a van Laar activity coefficient model and plots phase boundaries to analyze methyl acetate/methanol separation. Problem 4 derives activity coefficients from an excess Gibbs energy model and calculates phase compositions. Problems 5 and 6 analyze phase diagrams and chemical equilibrium using activity coefficient and reaction thermodynamics models.

Uploaded by

Md Faisal Karim
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 PDF, TXT or read online on Scribd
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CH EN 6853 – Graduate ChE Thermodynamics – Fall 2016

Homework #5

Due: Start of class on Wednesday, November 2nd

1. A stream containing equimolar quantities of benzene, toluene, and ortho-xylene is fed into a
flash separator. You may assume ideal (Raoult’s Law) behavior.
a. If the flash separator operates at 50 ˚C, what are the minimum and maximum
pressures (in kPa) where there is a two-phase region (liquid and vapor)?
b. If the flash separator operates at 5 atm pressure, what are the minimum and
maximum temperatures (in ˚C) where there is a two-phase region?
c. If the mixture is at a 5 atm pressure and at a temperature where there is no vapor,
what is the composition (in mole fraction) of the first vapor bubble formed if the
temperature is increased?
d. If the temperature in part (c) continues to rise, what is the composition (in mole
fraction) of the very last droplet of liquid before the system becomes all vapor?

2. A 50:50 mixture of methanol and water enters a flash separator at a pressure of 1 atm and
temperature of 80 ˚C.
a. Balance the flash calculation assuming Raoult’s law behavior (i.e., calculate the
composition and total quantity of the liquid and vapor phases).
b. Balance the flash calculation assuming the methanol (1) and water (2) follow the var
Laar activity coefficient fits of α = 0.83, β = 0.51.
c. Continuing from the non-ideal behavior in part b, the flash separator is operated at
P = 1 atm, and the vapor composition is 72.2 mol. % methanol. At what
temperature is the flash separator operated?

3. The separation of methyl acetate (MA) from methanol (MeOH) is hindered by the formation
of an azeotrope at T = 20 ˚C and P = 183.54 mm Hg. The azeotropic composition is
xMA = yMA = 0.754. It is proposed to perform the separation in two distillation columns. The
distillate of the first column will be at the azeotrope described above and then the mixture
will be heated and injected into the second column. Use the van Laar activity coefficient
model (below) and assume the activity coefficient model parameters (𝛼, 𝛽) are constant with
respect to temperature.

𝛼 𝛽
ln 𝛾!" = ! ln 𝛾!"#$ = !
𝛼𝑥 𝛽𝑥
1 + 𝛽𝑥 !" 1 + 𝛼𝑥!"#$
!"#$ !"

a. Determine the unknown parameters in the activity coefficient model


b. Plot the bubble pressure (Pxy diagram) at T = 20 ˚C and T = 50 ˚C.
c. Determine the azeotropic composition and system pressure at T = 50 ˚C
d. Has increasing the temperature allowed for purification of methyl acetate above
75.4%?

4. For the excess Gibbs energy model below. Please derive the following as a function of x1:

𝐺 !" = 𝐴𝑥! 𝑥!

a. Demonstrate that this excess Gibbs model results in the one-constant Margules
activity coefficient model (𝑅𝑇 ln 𝛾! = 𝐴𝑥!! and 𝑅𝑇 ln 𝛾! = 𝐴𝑥!! )
b. For A = 2.8 RT, what is the composition of phases I and II? (note: a trivial solution
of 𝑥!! = 𝑥!!! exists that is not useful)
c. If a 1 mole of a 70:30 mixture of 1 and 2 is destabilized and phase separates, how
much of phase I and phase II forms (in moles)? Note which component is “rich” in
each phase.

5. For the one-constant Margules activity coefficient model:


a. Derive equations for the bimodal and spinodal points. Your expressions do not need
to be explicit functions.
b. Plot the binodal and spinodal as a function of temperature (y-axis) and mole fraction
component 1 (x-axis) using A = 6.94 kJ/mol (temperature independent).
c. What is the upper consulate temperature?
d. If phase separation occurs at T = 298 K, what is the composition of the two phases?

6. The isomerization reaction of n-butane (∆Hf˚ = -125.8 kJ/mol, ∆Gf˚ = -16.6 kJ/mol) to
isobutane (∆Hf˚ = -135.0 kJ/mol, ∆Gf˚ = -21.4 kJ/mol) is taking place in a reactor at the
standard state of 1 bar and 25 ˚C. What is the composition of the mixture at equilibrium if a
50:50 mixture of n-butane and isobutane is fed to the reactor?
Table of Antoine Equation Coefficients

Source: Introduction to Chemical Engineering Thermodynamics 7th Ed., J. M. Smith,


H. C. Van Ness, and M. M. Abbott, McGraw-Hill, New York, NY, 2005.

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