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Molecular simulation in chemical engineering.

Simulations moléculaires et génie des procédés.

Author(s) : FUCHS A., BOUTIN A., ROUSSEAU B.

Type of article: Article

Summary

The authors review the basic principles of the molecular simulation methods (Monte Carlo and Molecular Dynamics) which can be used to predict thermophysical properties of fluids and fluid mixtures. It is shown how these methods can be applied to predict liquid-vapour phase behaviour of real fluids, transport properties and the equilibrium adsorption properties of fluid mixtures in zeolites. The authors discuss the potential future applications of these methods.

Details

  • Original title: Simulations moléculaires et génie des procédés.
  • Record ID : 1999-1390
  • Languages: French
  • Source: Entropie - vol. 33 - n. 208
  • Publication date: 1997
  • Document available for consultation in the library of the IIR headquarters only.

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