I´m trying to build a simulation about a divided wall column using open source programs (without MATLAB, Aspen, etc.). I would like to know if there is any methodology to program these kinds of simulators.
1) Identify the reactions that are taking place
2) Develop a credible mechanism and rate expression
3) develop a mathematical representation of the reactions taking place (or at least the rate limiting step)
4) Adjust rate constants and possibly activation energy to match data.
If you have the mathematics models in ODE'S form, you can use Julia to solve the mechanistics models using the package DifferentialEquations through the Rosenbrock method. You can use forth orden Runge-Kutta too, but I prefer Rosenbrock23.
1) Identify the reactions that are taking place
2) Develop a credible mechanism and rate expression
3) develop a mathematical representation of the reactions taking place (or at least the rate limiting step)
4) Adjust rate constants and possibly activation energy to match data.
Maybe some more details. You know equations and can't solve them, or you don't know equations so you can't solve them? There is no other option.
If you know the equations you can always (eventually) solve them with numeric (finite difference) techniques.
In the modelling of the dividing wall column there are different equations involved, like MESH equations, my objective is to set control features in this divided wall column process, I haven´t programmed the ODEs system yet. I´m planning to use softwares like DWSIM (steady stationary design), Scilab (as an alternative to Simulink) and Julia or Python if needed.
A divided wall column is not a chemical process. It is a separation process that is extremely close to two independent columns with combined reflux. I have modeled the type of column in the past in this way. Mix the overhead liquid from the two columns and attach the 'reflux as a feed to the top tray of each column.
Honeywell UniSim Design flowsheet simulator can simulate chemical processes.
https://www.honeywellprocess.com/en-US/online_campaigns/unisim-design/Pages/index.html
UniSim Design has an EO (equation oriented simultaneous solution of governing equations) option which allows you to "program" the equations for a model in the flowsheet.
https://www.honeywellprocess.com/en-US/online_campaigns/EUCyberSecuritySummit/Documents/2018-presentation/4.UniSimDesignEO-ReactorModels.pdf
"Educators" can get a free copy.
https://www.honeywellprocess.com/en-US/news-and-events/student-competition/Pages/apply-unisim-design-software.aspx
I agree with John Wassson, UniSim Design is an excellent simulator that you can use to simulate destillation columns, but I prefer to program the mathematics models in Julia or Python
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