Chemical Forums
Specialty Chemistry Forums => Chemical Engineering Forum => Topic started by: sid87pl on August 18, 2014, 10:52:28 AM
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Dear all,
For couple of days I have been trying to model non-isothermal CSTR behaviour at constant pressure.
The problem that I am considering is a simple irreversible gas-phase reaction of the form:
A :rarrow: B + C
I have the following thermodata for the participating species: H, Cp
My inputs are:
mflow [kg/s] only A is in the inlet stream
To [K] temperature of the inlet stream and inside the reactor at time t=0
Po=const [Pa] pressure
τ=const [sec] residence time, defined as V/Q
Can anyone tell me if my model equations are correct and how can I actually solve it? I particulary mean, how to simplify the equation 1) to somehow separate ρ and V in order to track their change over time separately in my ODEs solver?
I also assume that this is non-constant density and non-constant volume problem.
Model equations:
1) d(ρ*V)/dt = Qin*ρin - Q*ρ
2) d(V*Ca)/dt = Qin*Cain - Q*Ca + r*V
3) ρ*Cpmix*V*dT/dt = Qin*ρin*Cpin*(Tin-To) -Q*ρ*Cpmix*(T-To) + r*V*ΔHr
Qin - [m3/s] inlet volumetric flow rate
ρ - [kg/m3] density of the mixture inside the reactor and in the outlet stream
Cpmix - [J/kg] heat capacity of the mixture at a given temperature
Cpin - [J/kg] heat capacity of the inlet stream
ΔHr - [J/mole] heat of the reaction
My logic is to:
a) Use Po, To, initial concentration (xA=1, xB=xC=0) to work out the initial density of the mixture ρ
b) From the density, mflow and assumed residence time τ I can find the initial volume
c) From this point I think that it is possible to initialize the solver to find ρ(t), V(t), xi(t), T(t)
The only thing that cause the problem is the non-constant density condition. I was able to solve it for ρ=const , however this is not what I am looking for in this case I guess.
I would be very grateful for any help,
Daniel
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You want to model steady state or the transient?
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Can't you add in the gas law as an additional equation?
density = PM / RT or something similar?
Also, be careful with this: τ=const [sec] residence time, defined as V/Q
You must specify whether Q is referred to at inlet or exit conditions.
PS. You'd also need an explicit stoichiometry constraint or one more species balance. As I see it, your Material Balance currently has four variables: Q, V, ρ, Ca but only 2 eqns.