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Multicomponent System Validation (Co2-Mea-H2O) In Aspen Plus?

aspen plus co2 capture mea multicomponent mixture vle validation physical property validation co2 loading

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#1 Walter Sanchez

Walter Sanchez

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Posted 27 July 2018 - 07:20 AM

In literature this validation is done by comparing the CO2 partial pressure (or total pressure) for different CO2 loading (molCO2/molMEA) in an aqueous MEA solution (see attached images)


My question is: How do I enter these data in the first place into Aspen Plus ® because in the usual way, through “Data” tab, in none of the phase equilibrium category, that is TXY, PXY, etc., partial pressure of a component is available and only composition in terms of mole/mass fraction is permitted (not loading).

Once it is entered, and assuming the used thermodynamic model (NRTIL) does not accurately predict the system’s behaviour, how do I make the regression in “Regression” tab? In a binary system, the regression is made for NRTL binary parameters. Is it also so in this situation?


The same is applied to multicomponent mixture physical properties validation: This is frequently done by plotting Property VS temperature and CO2 loading as a parametric variable, how do I make the regression in “Regression” tab? Once the data is entered, in the regression tab, only pure component physical parameters and not mixture ones are available.


Please, help me out.

Thanks in advance.


(Note: Images from: Luo, X., & Wang, M. (2017). Improving Prediction Accuracy of a Rate-Based Model of an MEA-Based Carbon Capture Process for Large-Scale Commercial Deployment. Engineering, 3(2), 232–243. https://doi.org/10.1...NG.2017.02.001)


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Edited by Walter Sanchez, 27 July 2018 - 07:26 AM.

#2 Nikolai T

Nikolai T

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Posted 07 August 2018 - 11:22 AM

I think it can be done the same way, but in simulations you should use concentration MEA solution (molarity) that was pointed out in experimental data. I would prefer paper calculations in this case.
In my opinion such experimental data is getting with shake test (different molarity) and not be used for validation. What is the Legend for these diagrams?


Edited by Nikolai T, 14 August 2018 - 08:22 AM.

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