Try refprop 9

A good property estimation software would be the Dortmund Data Bank Property estimation software. They are leading in the field of chemical thermodynamics and have developed better estimations of gas mixtures with improved cubic EOS by collection of thermodynamic data of pure components and mixtures and partially measuring thermodynamic themselves. devices. Such improved predictions are like the Predictive SRK and Volume Translated PR EOS's developed in the research group.

Hi , I heard about Dortmund data bank , its reliable. You can also use HYSYS if you have access although its not designed specifically for this purpose.

I know that Hysys and Aspen have a good data bank for gas and liquid and their mixtures property based on cubic equation of state.

have a good simulation ...

Depends on the gas mixture and what you mean by real conditions!

For natural gas and synthetic gases where you can define each component the GERG method is the most accurate. Enter "GERG high accuracy gas" in your search engine to find ample references.

I have found this excellent for lighter gases. When characterisation is needed for the heavier components in natural gas condensates, which may have everything from methane to C40+ in the hydrocarbon soup at “real conditions” of ~15,000 psia and 200 C it is not so good. The Peng-Robinson EoS with the Peneloux volume translation is better, but this is as much a reflection of the weakness of the characterisation method and the handling of grouped components than the equation of state itself. For example, we know the properties of pure nC7, we don’t the properties for a petroleum fraction of thousands of isomers that are labelled as SCN7 that elute between nC6 and nC7 from a natural gas-condensate.

All of these methods and other Equations of State are available on the commercial software OILVLE, you can get a free licence for two weeks trial from the vendors GL Noble.

Brian.

Any cubic EoS is suited, provide that you fit the attractive parameter to the experimental vapor pressures and you add a volume shift (Pénéloux).

Densities and enthalpic properties are affected by the volume shift.

VLE properties, entropies, heat capacities and latent heats are not.

Hysys or aspen

Try refprop9 or any other version. Also a simple numerical code can be implemented in fortran or C. You need just to solve an equation of 3rd degree.

dear rodriguez,

I use Aspen Properties and I think it is a very good and versatile tool.

valued colleagues ...

within (Dortmund Data Bank Property estimation, REFPROP, HYSYS, Aspen, etc.) is recommended any free software or freeware software?? ...

estimated Hatem Ksibi ...

indeed, it must solve a 3rd degree equation but applied to a mixture of about 10 components ... I am designing a software but I want to validate their results through commercial software

If you just want a few calculations send me your mixture composition with the temperature and pressures and required properties in Excel I will send you answers from different EOS methods. [email protected]

You could use Distil that is an extension for Hysys, it has a los of thermodynamic data from gas/liquid mixtures applied to distillation problems.

REFPROP Ver 9.1 < http://www.nist.gov/srd/nist23.cfm > is open source, thermodynamically robust especially for mixtures, and easy to use.

In Aspen, there are many thermodynamic methods: Grayson, UNIQUAC, SRK, NRTL, etc. Each of them can be more accurate in some specific case. For instance, one is meant for water-organic systems, one is meant for the system of hydrocarbons without water and so on. You can read the brief explanations in there when you simulate.

The question was:

Which software is recommended to estimate properties of gas mixtures in real conditions using cubic equations (VdW, RK, RKS, PR, etc) ?

In fact, equations of state are not software but calculation methods. Whichever is the process simulation program, you must choose one of them, and the goodness of results will derive from the parameters used by the simulator, which is not trivial choice.

Different simulators make use of different parameter sets for the same method and, thus, they may give different results. I am satisfied by the SRK method with the parameters used by HYSYS.

Agreed to Dr. Soave

I agree ... it's very important to specify, for example, the mixing rule ....

When we cite SRK EoS, we mean classical quadratic mixing rules, with proper values of the binary parameters and pure-component attractive parameter fitted to their vapor pressure.

One would be surprised by the good VLE results given by the quadratic mixing rules, also for systems with polar, non-associating components (only water and alkanols are excluded).

At POLIMI we use, among the other software already cited, UNISIM from Honeywell.

At BASF, among others (in house developed software and programs, Aspen) we use Multiflash Software that can be couple with Excel and Matlab:

http://www.kbcat.com/infochem-software/flow-assurance-software-multiflash/thermodynamic-model