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COMSOL Multiphysics Models For Teaching Chemical Engineering Fundamentals

The absorber column models provide similar benefits of visualization and hands-on interaction to enhance student learning of mass transfer fundamentals. The models allow students to test their understanding and see how design changes impact performance. This helps bridge the gap between theory and real processes.

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Habli Mawardi
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76 views

COMSOL Multiphysics Models For Teaching Chemical Engineering Fundamentals

The absorber column models provide similar benefits of visualization and hands-on interaction to enhance student learning of mass transfer fundamentals. The models allow students to test their understanding and see how design changes impact performance. This helps bridge the gap between theory and real processes.

Uploaded by

Habli Mawardi
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Presented at the COMSOL Conference 2008 Boston

COMSOL Multiphysics Models for


Teaching Chemical Engineering
Fundamentals:
Absorption Column Models and Illustration
of the Two-Film Theory of Mass Transfer
William M. Clark
Chemical Engineering Department
Worcester Polytechnic Institute
Worcester, MA 01609
Experiment
Theory Simulation
Packed Absorption Column
Removing CO2 from air into water.
Water flowing downward,
gas flowing upward over packing.

Ignoring details and


complexities of packing
arrangement and flow
patterns.
Absorption Analysis
CO2 transferred from air to water
Water in, xt = 0
Water flux, L0 mol/m2s Cleaner air out, yt = 0.099

x y d d
− (Gy ) = ( Lx)
dz dz

Contaminated water out, Contaminated air in, yb = 0.185


xb = 0.000126 Air flux, G0 mol/m2s
Traditional Analysis
Lump all complexities of convection and diffusion into
Kya – overall gas phase mass transfer coefficient

− (Gy ) = ( Lx) = K y a ( y − ye )
d d
dz dz

Driving force for mass transfer assumed to be (y-ye)

Henry’s law gives ye as function of x (equilibrium line)


ye P = H x
 1 
If not dilute, gas and liquid fluxes vary G = G0  
1− y 
 1 
L = L0  
1− x 
Traditional Analysis
 yb  L0  x x 
  +  − b 
 1 − yb  G0  1 − x 1 − xb 
y= (operating line)
 y  L  x x 
1 +  b  + 0  − b 
 1 − yb  G0  1 − x 1 − xb 

G0 dy
0=− − K y a( y − ye )
(1 − y ) dz
2

Z G0 yt dy
Z =∫
K y a ∫yb (1 − y ) 2 ( y − ye)
dz =
0

G yt dy
K ya = 0
Z ∫yb (1 − y) 2 ( y − ye)
Traditional Analysis
300
0.2
b
0.18
250
0.16 operating line
0.14 200
0.12
y

f(y)
0.1 150

0.08 t
0.06
equilibrium line 100

0.04
50
0.02
0 0
0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 0.05 0.1 0.15 0.2
x (x 104) y

1 integrate graphically
f ( y) =
(1 − y ) 2 ( y − ye) G yt dy
K ya = 0
Z ∫yb (1 − y) 2 ( y − ye)
MATLAB Analysis
% run_absorber.m
global L0 G0 xb yb yt H
H=1420;Z = 1.372;S = 0.00456;
L0 = 1.06*1000/60/18/S;
G0 = 1.42*1000/(100^3*60*0.022415)/S;
yb = 0.185; yt = 0.099;
OPTIONS=[];
xb = fzero(@xbofy,0.0001,OPTIONS,yt)
NTU = quadv(@funy,yt,yb) yt dy
HTU = Z/NTU Evaluates ∫yb (1 − y) 2 ( y − ye)
Kya = G0/HTU*3600

%xbofy.m
%mass balance used to find xb, outlet liquid
%phase mole fraction
function f = xbofy(x,y)
global L0 G0 xb yb yt H
f=y-(yb/(1-yb)+L0/G0*(-x/(1-x)))/(1+yb/(1-yb)+L0/G0*
(-x/(1-x)));
MATLAB Analysis
% funy.m
% function to integrate to get NTU
function f = funy(y)
global L0 G0 xb yb yt H
OPTIONS=[];
x=fzero(@xofy,0.00001,OPTIONS,y); Finds x for every y and
ye=H*x;
f = 1/((1-y)^2*(y-ye)); ye at every x
%xofy.m
%finds x at every y for operating line
function f = xofy(x,y)
global L0 G0 xb yb yt H
f=y-(yb/(1-yb)+L0/G0*(x/(1-x)-xb/(1-xb)))/(1+yb/(1-
yb)+L0/G0*(x/(1-x)-xb/(1-xb)));
>> run_absorber
xb = 1.2597e-004
NTU = 3.3846
HTU = 0.4054
Kya = 2.0563e+003
COMSOL Analysis
Gas and liquid phases treated separately in the same geometry
2-D axial symmetry with mapped mesh using actual dimensions
(1-D and 3-D also work well but 2-D-as gives the best visual results)
Equations
 
∇ • (− Dg∇cg ) = R − u • ∇cg ∇ • (− Dl∇cl ) = R − u • ∇cl
R = − K y a (1 − y ) ( y − ye) R = K y a ( y − ye)
Expressions vg = vg / (1-y)
0
y = (cg R T) / P
x = (cl MW)/(ρ)
ye = H x
Boundary Conditions
Insulation and symmetry, fixed inlet concentrations,
convective flux at outlets
COMSOL Analysis

Using Kya from traditional analysis we can reproduce the experimental results.
Alternatively, Kya that best fits the data can be obtained using the parametric solver.
Advantages of COMSOL Analysis
• More straightforward and easier to use than
MATLAB or traditional graphical analysis
• Gives colorful, visual representation of
concentration profile
• Additional post processing can provide a wide
variety of information with little or no further
effort
• Heat effects, variable mass transfer coefficients,
and chemical reactions can be included easily
Two-Film Theory
Overall resistance is described as sum of individual resistances
1 1 H Equilibrium at interface , y P = H x
= +
K ya k ya kxa
interfacial area

Flux across the interface = kx (xi – x) = ky (y – yi)

Each film considered to be a stagnant layer of a given thickness


with mass transfer described by molecular diffusion only

Flux across the interface = (Dl / tl) (cli – cl) = (Dg / tg) (cg – cgi)

kcl = Dl / tl = kx MW / ρ and kcg = Dg / tg = ky RT/P


Explicit Two-Film Model
Column modeled as inert rods,
coated by a liquid layer flowing
down surrounded by a gas
layer flowing up.
Rod number and layer
thicknesses are set to provide
required velocities and flow
rates – only study one rod.
Between each flowing layer and
the interface is a stagnant film
with mass transfer governed
by molecular diffusion. Film
layers set at arbitrary effective
kc = D / t = Deff / teff thickness. Effective
Dl eff = tl eff kxa MW / ρ a diffusivities evaluated using
kxa and kya obtained from
Dg eff = tg eff kya RT/P a traditional analysis.
Explicit Two-Film Model
2-D axial symmetry
Mapped mesh
Convection and diffusion

using “stiff spring”


boundary condition
CO2 Absorption

Results agree with those from y = 1420 x


experiments and simple model.
SO2 Absorption

Results agree with y = 27 x


experiments from the
literature and simple model.
Illustrating Mass Transfer Coefficient
Definition and Dependence
kx “measured” in the model by determining flux across the membrane:
Flux across the interface / (xi – x) = kx
This value of kx can be seen to agree with kx from traditional
analysis used to define Dl eff
kcl = Dl / tl = Dl eff / tl eff = kx MW / ρ
Assuming the interfacial area, a, is constant, the liquid film thickness
decreasing with water flow rate explains the mass transfer increase.
Water Rate kxa kx tl
L/min mol/m3s mol/m2s m x105
0.53 508 0.76 13.15
1.06 916 1.37 7.28
1.58 1028 1.54 6.49
2.11 1172 1.76 5.69
Implementation in Lab Course
Currently using these absorber models in our
senior laboratory course.
Comparing test scores and report content of
students who use the models to those who do
not.
Assessing improvement in student attitudes and
learning.
Previously made assessment of models for heat
exchanger, gas permeation and fluid flow.
Expected Results
Student Comments on Heat Exchanger Lab Simulation

• “I liked that it was visual, hands-on, and self-


paced”
• “taught me outlet T versus flow rate”
• “good visualization that could not be achieved
through a book…much better than just
equations”
• “the meaning of inside and outside heat transfer
coefficients … how boundary layers provide the
most resistance to heat transfer”
• “more heatx type prelabs or similar reports”
• “liked the heat exchanger pre-lab module,
opportunity for feedback”
Acknowledgements
• National Science Foundation Grant No. DUE-
0536342.
• Jack Ferraro and Yaminah Jackson

Experiment

Theory Simulation

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