Batch Reactor Simulation

Prithivi Ram B
R670220007
500082028
Introduction
• The elementary liquid-phase series reaction is carrired out in a batch
reactor.
A B C
In this reaction, A is decomposed to the desired product B and
the flow rate of the feed containing A is 50Litre/min. The initial
concentration of A,B and C are CA0 = 5 mol/litre, CB0 = CC0 =0 . Assume
isothermal conditions
The reaction rate constant are K1=0.4min-1 ,k2=0.2min-1
1. Find the Time and volume when CB is at maximum
concentration.
Material Balance

• dCA = -k1CA --------------- I

dt 

• dCB = k1CA- k2CA -----------------Ii

dt

• dCC = k2CB -----------------iii

dt
• v=50; %volumetric flow rate
• CAo=5; %Initial CA value
• CBo=0; % Initial CB value
• CCo=0; %Initial CC value
• kone=0.4; %Rate constant for reaction 1
• ktwo=0.2; %Rate constant for reaction 2 
• %Anonymous function
• dydx=@(t,C) [-kone*C(1);kone*C(1)-ktwo*C(2);ktwo*C(2)]; %anonymous function
calling RHS of differential equation
 
•%Other parameters for
integration
•Co=[CAo,CBo,CCo];
conditions %Initial
•tspan=linspace(0,15,1000);
Time
mins ranges from 0 to 15 %
•[t,C]=ode15s(dydx,tspan,Co);
%ode solver
 
•plot(t,C(:,1),'r--',t,C(:,2)
,'-',t,C(:,3),'.');
••legend("CA","CB","CC");
xlabel("Time")
•ylabel("Concentration")
• Cmax=max(C(:,2));
• tmax=t((C(:,2)==Cmax));
• disp("Time at maximum CB is "+ tmax + " mins")
• disp("Volume at max CB is "+ tmax*v + " litres")
Answer

• Time at maximum CB is 3.4685 mins

Volume at max CB is 173.4234 litres
THANK YOU