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Non-Isothermal CSTR Experiment - 2 Aim: Modeling and Simulation of Non-Isothermal CSTR. Assumptions

The document describes modeling and simulation of a non-isothermal continuous stirred tank reactor (CSTR) for an exothermic reaction. It provides the assumptions, equations, parameter values, and MATLAB code to calculate the steady-state concentrations, temperatures in the reactor and jacket, and to verify the existence of multiple steady states through plotting.

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Damanpreet Singh
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115 views6 pages

Non-Isothermal CSTR Experiment - 2 Aim: Modeling and Simulation of Non-Isothermal CSTR. Assumptions

The document describes modeling and simulation of a non-isothermal continuous stirred tank reactor (CSTR) for an exothermic reaction. It provides the assumptions, equations, parameter values, and MATLAB code to calculate the steady-state concentrations, temperatures in the reactor and jacket, and to verify the existence of multiple steady states through plotting.

Uploaded by

Damanpreet Singh
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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Sudhanshu Sharma 1

NON-ISOTHERMAL CSTR

Experiment – 2

Aim: Modeling and Simulation of Non-isothermal CSTR.

Assumptions:-

⮚ Irreversible and exothermic reaction.


⮚ The volume of the reactor (V) and inside the jacket (Vj) is constant.
⮚ nth-order kinetics involved.
⮚ The heat of reaction is assumed to be .
⮚ The density of a system is constant and negligible heat loss throughout.
⮚ Perfectly mixed CSTR.
⮚ Temperature everywhere in the jacket is Tj.

Notations:-

❖ The concentration of an inside the tank =CA


❖ Feed flow rate= f0
❖ Flow rate out of tank =f
❖ The volume of reactor= V
❖ Overall heat transfer coefficient =u
❖ Heat transfer area =a
❖ Temp. Inside reactor = T
❖ Temp. Of jacket = Tj
❖ The density of fluid =d
❖ Heat of vaporization=y
❖ Enthalpy of liquid =h

❖ Energy balance equation for reactor:-

The rate of heat transferred from the reactor to the cooling jacket is given by
Sudhanshu Sharma 2

The mass balance for species A yields

(Rate of Input) - (Rate of Output) +Generation - Consumption = 0

❖ From the energy balance on the reactor, we have

❖ The energy balance on the cooling jacket gives


Sudhanshu Sharma 3

Question- The liquid-phase 1st-order irreversible exothermic reaction A → B is carried out in a CSTR. The
reaction rate is given by −rA = kCA, k = αe−E/RT.
1. Calculate the steady-state values of CA, T, and Tj.
2. This exothermic reaction system may exhibit multiple steady states. The energy balance on the reactor
yields
ρCp (F0T0 - FT) - λkVCA -UA(T -Tj ) = 0
Substituting;
k = αe−E/RT, CA= F C/ (F+ KVA ), and Tj =[(ρCj FjTj+ UAT) / (ρjCjFj+ UA)]

Solve the nonlinear equation f(T) = 0 and plot f(T) versus T to verify multiple steady states.

Flow rate of the reactant feed: F0 = 40 ft3/hr


Flow rate of the product stream: F = 40 ft3/hr
Initial concentration of the species A: CA0 = 0.55 lbmol/ft3
Reactor volume: V = 48 ft3
Flow rate of the cooling water: Fj0 = Fj = 49.9 ft3/hr
Heat capacity of the reactant: Cp = 0.75 btu/lbm/°R
Heat capacity of the cooling water: Cj = 1 btu/lbm/°R
Rate constant parameter: α = 7.08 × 1010 hr−1
Activation energy: E = 30,000 btu/lbmol
Density of the reactant: ρ = 50 lbm/ft3
Density of the cooling water: ρj = 62.3 lbm/ft3
Overall heat transfer coefficient: U = 150 btu/(hr · ft2 · °R)
Heat transfer area: A = 250 ft2
Inlet temperature of the cooling water: Tj0 = 530 °R
Inlet temperature of the reactant: T0 = 530 °R
Heat of the reaction: λ = −30,000 btu/lbmol
Volume of the cooling jacket: Vj = 12 ft3
Gas constant: R = 1.9872 btu/lbmol/°R
Sudhanshu Sharma 4

Solution:- i) We can formulate the mass and energy balances that apply to the reactor and the cooling
jacket. Required steady-state values can be obtained from the solution of the system of nonlinear equations
consisting of these balances. Rearrangement of the mass and energy balances yields the following nonlinear
equations (x1 = CA, x2 = T, x3 = Tj):

Mass balance on the reactor: f1 = FoCAo − Fx1 − αx1 Ve^(−E/Rx2)= 0

Energy balance on the reactor: f2 = ρCp(F0T0 − Fx2) − λαx1Ve^(−E/Rx2) − UA(x2 − x3) = 0

Energy balance on the cooling jacket: f3 = ρjCjFj(Tjo − x3) + UA(x2 − x3) = 0

Set the initial estimates of the final solution as x0 = [CAo To Tjo]. The MATLAB® script

exocstr uses the built-in function fsolve to give the desired results.

Code -
% exocstr.m

% Data:

F0 = 40; F = 40; Fj = 49.9;Ca0=0.55; V = 48;

rho = 50; rhoj = 62.3; Cp = 0.75; Cj = 1; A = 250; U = 150;

T0 = 530; Tj0 = 530; alp=7.08e10; lam = -3e4; E = 3e4; R = 1.9872;

% Define nonlinear equations

fun = @(x) [F0*Ca0 - F*x(1) - alp*V*x(1)*exp(-E/R/x(2));

rho*Cp*(F0*T0-F*x(2))-lam*alp*V*x(1)*exp(-E/R/x(2))-U*A*(x(2) - x(3));

rhoj*Cj*Fj*(Tj0 - x(3)) + U*A*(x(2) - x(3))];

% Solution of nonlinear equation system

x0 = [Ca0 T0 Tj0]; % initial guess

x = fsolve(fun, x0);

Ca = x(1), T = x(2), Tj = x(3)


Sudhanshu Sharma 5

The script exocstr produces the following outputs:

>> exocstr

CA= 0.5214
T = 537.8548

Tj = 537.2534

ii) The nonlinear equation

is solved by the script exocstr2, which also generates a plot f(T) versus T.

Code-

% exocstr2.m

% Data:

F0 = 40; F = 40; Fj = 49.9;Ca0=0.55; V = 48;

rho = 50; rhoj = 62.3; Cp = 0.75; Cj = 1; A = 250; U = 150;

T0 = 530; Tj0 = 530; alp=7.08e10; lam = -3e4; E = 3e4; R = 1.9872;

% Define nonlinear functions

fT = @(T) [rho*Cp*(F0*T0 - F*T) - (F0*Ca0*V*lam*alp*exp(-E/R./T))./...

(F+alp*V*exp(-E/R./T)) - U*A*rhoj*Cj*Fj*(T-Tj0)./(rhoj*Cj*Fj + U*A)];

% Solve nonlinear equations

T0 = T0+150 % initial guess

x = fzero(fT, T0)

% Plot of f(T) versus T

Tv = 500:0.1:700; Fv = fT(Tv); Fv0 = Fv*0;

plot(Tv,Fv,Tv,Fv0), xlabel('T(R)'), ylabel('f(T)')


Sudhanshu Sharma 6

Different steady states can be determined by solving the nonlinear equation with different initial estimates of
the final solution. The script exocstr2 computes T for three different initial estimates of T0 = 530, 580, 680
(°R) and generates a plot of f(T) as shown in Figure.

>> exocstr2

T0 =530

x =537.8548

>> exocstr2

T0 =580

x =590.3498

>> exocstr2

T0 =680

x =671.2783

We can see that the reaction system exhibits three different steady states of Ts = 537.8548,

590.3498, 671.2783 (°R).

Multiple steady-state solutions for the exothermic reaction system.

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