Wednesday, September 15, 2010

Multicompartment process model for loose-coupling with a CFD simulation

It is probably a fact that a distributed mathematical model could represent (or model) a target system more precisely and rigorously. However, we also admit that too much detailed model could be too heavy to solve.
These days, there are many demands in CFD simulation to get a better understanding of chemical processes and the phenomenon involved. In the meantime, we also perform a traditional process simulation for design and optimization study. How come such different approaches could be integrated to make our life easy. I think we could find a solution from "hydrid modeling".

A multi-compartment modeling method (based on UNIT CELL model) could offer followings:
- Allow one to model and simulate rigorous mixing effects by complex equipment geometry
- Useful for reaction system that requiring viscous fluid dynamics simulation
- More realistic representation of industrial reactor rather than perfect mixing RBatch or RCSTR model


Using UNIT CELL, one could represent a geometry and also characterize "interractions" between CELLs.


This concept could be extended to much more complex modeling. And it could be coupled with CFD simulation. Well, the degree of the coupling is truely a demand-basis. From experiences, loose-coupling may b enough (i.e. few manual iteration should suffice the requirement). However, it should be possible to close the "Loop".


The above captured screenshots are from a consulting project that I provided in 2005. I still remember the customer really liked it. By the way, this modeling work has been done using Aspen Custom Modeler.

Sunday, June 6, 2010

Is there any utility in HYSYS for PSA(Pressure Swing Adsorption) simulation

As of today, there isn't a utility in HYSYS for PSA or any other type of adsorption processes. Aspen Adsorption (formerly known as Adsim) is an independent product for gaseous adsorption processes, however currently no methods available to either interface or use Adsorption in HYSYS. In HYSYS V7.1, an ACM model export may be a useable application, thus in theory, it should be possible to export Adsorption simulation into HYSYS (Dynamics). Another possible approach could be developing a PSA simulation using CSS model approach (a steady state modeling method by discretizing time and space) available in Aspen Adsorption, and then export it to HYSYS (Steady-State). Another method I could imagine is utilizing ASW (Aspen Simulation Workbook) to interface HYSYS and Adsorption. I personally believe any above option should be possible, but none of them has been so far tested internally (in Aspen) and externally (as far as I know). The important question is whether the feature is really needed. Some industrial adsorption processes (such as Polybeds for Hydrogen separation or Parex for p-Xylene extraction) are quite rigidly pre-configured process therefore it must be beneficial to have integrated application within HYSYS framework. In the past, I met several people who has shown interests on such integration. However I never seen any people who seriously wants to have such model and willing to pay for it. I think it is a gap in between "dream" and "reality". If you are really serious on that matter, let me know, perhaps I could help.

[original post]
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Thursday, March 18, 2010

What are the most useful programming languages for Chemical Engineers?

Basically, any computer language should be good. However, if you want to extend your codes (or routines) to commercial software, then the selection of "which" language may be an important factor. Typically a commercial software provides some tutorial examples (or cases), to learn how to connect or re-use a specific computing code in the commercial software. Thus it would be wiser to determine "useful" language to going forward.

1) If you want to re-use your codes in some commercial software
- Aspen Plus: FORTRAN is the most popular and best language to use
- Aspen Plus Dynamics/Aspen Custom Modeler: either FORTRAN or C is good
- HYSYS and HYSYS Dynamics: Visual Basic (VB6 or VB.Net) is good. C#.Net is also good (but examples are rare)

2) If you want to run or link with commercial software
Perhaps Excel VBA provides the best exercise. VB.Net (or C#.Net) is also good.