 WALAA ALMOIZ ALAMIN ALSHAREEF

 152066

Process simulation and optimization

TUT 3

REACTING SYSTEMS

Solution:

1. DF Table:

Number of Stream Variables 14

Number of independent specification 2
Extend of reaction 2
Material Balance 12
Chemical conversion 1
Yield relation 1
DF =0

2. Number of Independent unknowns:

Stream 1 2 3 4 5 6 Total
Number of unknownsIndependent 2 0 5 2 1 2 12 +
Variables 2=14
Selected Variables E1,O1 _ E3,O3, C4,W4 EO5 E6,O6
EO3,C3
W3
 3. Equations in Terms of Independent Unknowns:
 Material Balance = 12

 Mixer relations:
C2H4: E1 + E6 = 75 O2: O1 + O6 = 25

 Reactor relations:
C2H4: 75 – 2r1 – r2= E3 O2: 25 - r1– 3r2 = O3
C2H4O: 0 + 2r1= EO3 CO2: 0 + 2r2 = C3
H2O: 0 + 2r2 = W3

 Separator relation:
C2H4: E3 = E6 O2: O3 = E6
C2H4O: EO3 = EO5 CO2: C3 = C4
H2O: W3 = W4

 Yield relation = 1
actualyeild × 100 %
Yield =
theoreticalyeild
EO 3
0.9 =
75
EO3 = 75 * 0.9
 Chemical Conversion = 1
Reactantinreactor −reactantinreactoroutlet
Conversion =
reactantinreactor
75−E 3
0.2 =
75
0.2 * 75 = 75 – E3

4. Matlab code:

Function file:
function f = tut3(x)
E1 = x(1); O1 = x(2); E3 = x(3); O3 = x(4); EO3 = x(5); C3 = x(6); W3 = x(7); C4 = x(8);
W4 = x(9); EO5 = x(10); E6 = x(11); O6 = x(12); r1 = x(13); r2 = x(14);

f(1) = E1 + E6 - 75;
f(2) = O1 + O6 - 25;
f(3) = 75 - 2*r1 - r2 - E3;
f(4) = 25 - r1 - 3*r2 - O3;
f(5) = 0 + 2*r1 - EO3;
f(6) = 0 + 2*r2 - C3;
f(7) = 0 + 2*r2 - W3;
f(8) = E3 - E6;
f(9) = O3 - O6;
f(10) = EO3 - EO5;
f(11) = C3 - C4;
f(12) = W3 - W4;
f(13) = 75 * 0.9 - EO3;
f(14) = 0.2 * 75 - 75 + E3;
end

Script file:

x0 = 10*ones(1,16);
x = fsolve(@tut3,x0);
feed = x(1)+ x(2);
fprintf (' The product flow rate of co2 = %6.2f\n',x(8));
fprintf (' The product flow rate of h2o = %6.2f\n',x(9));
fprintf (' The product flow rate of c2h4o = %6.2f\n',x(10));
fprintf (' The product flow rate of c2h4 = %6.2f\n',x(11));
fprintf (' The product flow rate of o2 = %6.2f\n',x(12));
fprintf (' The value of r1 = %6.2f\n',x(13));
fprintf (' The value of r2 = %6.2f\n',x(14));
fprintf (' The feed steam flow rate = %6.2f\n',feed);

Command Window:
>> run_tut3
Equation solved.
fsolve completed because the vector of function values is near zero as measured by the
default value of the function tolerance, and the problem appears regular as measured by
the gradient.

<stopping criteria details>

The product flow rate of co2 = -105.00

The product flow rate of h2o = -105.00
The product flow rate of c2h4o = 67.50
The product flow rate of c2h4= 60.00
The product flow rate of o2 = 148.75
The value of r1 = 33.75
The value of r2 = -52.50
The feed steam flow rate = -108.75

Problem (3) :

Total no. of variables 10

MB 5

Independent compositions 4

Basis 1

DF 0

Number of independent variables and selection table:

Stream 1 2 Total

Unknown - 2 2+3=5
variables
selection - A,B
A= H2 , B=CO2

Reaction equations:
CO+2H2‫ ـــــ‬CH3OH
CO+3H2‫ ـــــــ‬CH4+H2O
CO+H2O ‫ ـــــ‬CO2+H2
3CO+2H2O‫ـــــ‬CH3OH+2CO2
number of independent Material Balance = 5
number of unknown variables =5
DF=5-5=0
Equations of unknown variables H2 , CO2 :
75-A2-2*r1-3*r2=0
-B2+2*r4=0
25-(0.2*(A2+B2))/0.67=0
-0.08*(A2+B2)/0.67=0
-0.05*(A2+B2)/0.67=0

MatlabCode:
Function file :
function f =prob3(x)
A2=x(1);B2=x(2); r1=x(3);r2=x(4);r4=x(5);
%material balance for H2:
f(1)=75-A2-2*r1-3*r2;
%material balance for Co2:
f(2)=-B2+2*r4;
%material balance for Co:
f(3)=25-(0.2*(A2+B2))/0.67;
%material balance for CH3OH:
f(4)=-0.08*(A2+B2)/0.67;
%material balance for CH4:
f(5)=-0.05*(A2+B2)/0.67;

end
//script file :
%initial guesses of 15 for all 5 variables
x0=15*ones(1,5);
x=fsolve(@prob3,x0);
%check
N2=(x(1)+x(2))/0.67;
Comp1= x(1)/N2;
Comp2= x(2)/N2;
fprintf('flowrate of stream 2=%6.2f \n',N2)
fprintf('Composition of H2=%6.2f \n',Comp1)
fprintf('Composition of Co2=%6.2f \n',Comp2)

command window

Solver stopped prematurely.

fsolve stopped because it exceeded the function evaluation limit,

options.MaxFunctionEvaluations = 1.400000e+03.

FLOWRATE_4= 11.51
FLOWRATE_5= 25.14
FLOWRATE_6= 48.73
FEED STREAM FLOWRATE= 51.50