5 replies to this topic

[Mark Thomas]

Hello all,

I am new here. I am searching for a robust HIGH PRESSURE VAPOR-LIQUID EQUILIBRIUM calculator.

Ideally, it should be able to calculate a phase diagram for matrices consisting of up to thirty or so components.

Additionally, I need to be able to add new compounds as well as the critical properties for each to the software.

I work with many more compounds than are simply found in natural gas.

Can anyone recommend software that can handle this?

Thanks in advance,

Mark

[J_Leo]

Calculator?
We use simulation softwares, like ProII, Hysys to perform this kind of tasks. But these softwares are pretty expensive.

[Mark Thomas]

I'll check them out. Thanks.

Any others?

[marchem]

Unfortunately even very expensive simulators may suffer convergence errors in some areas of retrograde region, typically when close to critical point, you may test a series of mixtures and for each mixture generate a phase envelope plus critical point then do a series of isothermal flash at different distances (say 0.1 - 5K 0.1-5 Bar) from critical point in all directions, most common error being a single phase detected instead of vapor + liquid, other common errors being for properties as isothermal compressibility, cv etc.
If you have that possibility I would recommend to compare different products and make your own opinion, in the list, in addition to the above mentioned simulators I would include a good process library as Prode Properties.

[frpe]

imho marchem is correct,
many engineers do not test VLE data for consistence, it would be a interesting area of discussion.

[Technical Bard]

Check out VMGSim from Virtual Materials. Good thermo people behind that product.