Reaction Engineering

POLYMATH DEMO


Nonlinear Equations Solver (NLE)

Example 3-8: (Equilibrium Conversion)

( )
c e
e
Ao
K 1 X
X
4C

= , C
Ao
= 0.07174, K
c
= 0.1

This equation has to be solved for the implicit variable X
e
.


To solve this equation, it must be written in the form f(x) = (an expression that is to
have the value of zero at the solution).


f (xe) xe (kc*(1 xe) /(4*cao)) ^ 0.5 =

Procedure:

- Press the "NLE" button
- To input the implicit equation press the "Add NLE" button and the put the
Equation above.
- Type in the initial guess for Xe ( = 0.5) in the appropriate box.
- Press "Done" when finished.
- Enter the constants cao and kc as two explicit equations (press the "Add EE"
button)
- Enter the lower/upper boundary limits
(Lower limit = 0, Upper limit = 1)
- Solve it (press the "" button)

Differential Equations Solver (DEQ)

Purpose: to solve systems of first-order ODEs


Example 4-7: (Packed Bed Reactor)


A
Ao Ao
dX K 1 X r
y
dW F 1 X F
' '
| |
= =
|
+ c
\ .


( ) 1 X dy
dW 2y
o + c
= ,
o
v 1 X
f
v y
+ c
= =
Where:
o
P
y
P
= ,
A
1 X
r K y
1 X

| |
' ' =
|
+ c
\ .

o = 0.0166, c = -0.15, K 0.0266 ' = , F
Ao
= 1.08

Procedure:

- Press the "DEQ" button
- Name the Indep Var (w).
- Enter the initial value (= 0) and the final value ( = 60)
- To input the first differential equation, press the "Add DE" button.
Put the expression:
d(x) rate
d(w) fao
=
- Enter the initial value (= 0) for x(0)
- Press "Done"

- To input the second differential equation, press the "Add DE" button.
Put the expression:
d(y)
alpha *(1 eps*x) /(2*y)
d(w)
= +
y(0) =1
- Enter the ( r
A
' ) equation as explicit equation (press the "Add EE" button)
rate = kprime*((1-x)/(1+eps*x))*y
- Enter the (f) equation as explicit equation (press the "Add EE" button)
( ) f 1 eps*x / y = +
- Enter the constants fao, alpha, eps, kprime as four explicit equations (Add EE)
fao = 1.08
alpha = 0.0166
eps = -0.15
kprime = 0.0266

- Solve it (press the "" button)
- Press the "Table" and "Graph" buttons and press the "" button to get a
tabular and graphical presentation of the results.
- To add variables, defined by algebraic equation (e.g., f) to the graph use the
"Curves and Function" option which can be accessed by the right mouse button
click.






Differential Equations Solver (DEQ)


Example 8-3:

Differential equation:

A
Ao
dX r
dV F
'
=

Explicit equations:
T 330 43.3*X = +
kc 3.03*exp( 830.3*((T 333) /(T*333))) =
k 31.1*exp(7906*(T 360) /(T*360)) =
Xe kc/(1 kc) = +
ra k*cao*(1 (1 1/ kc) *X = + )
rate ra =
fao= 0.9*163
cao=9.3

Procedure:

- Press the "DEQ" button
- Name the Indep Var (V).
- Enter the initial value (= 0) and the final value ( = 3)
- To input the differential equation, press the "Add DE" button.
Put the expression:
d(X)/d(V)=-ra/fao
- Enter the initial value (= 0) for x(0)
- Press "Done"
- Enter the following explicit equations (press the "Add EE" button each time)
T 330 43.3*X = +
kc 3.03*exp( 830.3*((T 333) /(T*333))) =
k 31.1*exp(7906*(T 360) /(T*360)) =
Xe kc/(1 kc) = +
ra k*cao*(1 (1 1/ kc) *X) = +
rate ra =
- Enter the constants fao and cao as two explicit equations (Add EE)
fao= 0.9*163
cao=9.3
- Solve it (press the "" button)
- Press the "Table" and "Graph" buttons and press the "" button to get a
tabular and graphical presentation of the results.
- To add variables, defined by algebraic equation (e.g., rate) to the graph use the
"Curves and Function" option which can be accessed by the right mouse button
click.