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Molecular-level simulation of dew-points of fluid mixtures and application to refrigerant cycle design.

Number: pap. n. TP-045

Author(s) : SKVOROVA M., NEZBEDA I., SMITH W. R.

Summary

Molecular simulation is an increasingly important and useful tool in the design of devices based on many types of chemical phenomena. The approach requires only a model for the molecular interactions of the components, from which essentially exact calculations of multiple macroscopic system properties can be made. Device design also depends on the availability of computational algorithms to simulate the underlying chemical processes. Methods for the simulation of all types of vapour-liquid equilibrium (VLE) are particularly important, because they potentially permit their direct application to the design of practical separation processes. Many methods exist for the calculation of VLE in the cases of flash calculations and bubble point calculations for fluid mixtures. However, analogous implementations for other single-stage equilibria such as dew points remain challenging. Dew and bubble point calculations are important in a variety of industrial applications (separation and absorption processes; refrigeration, cooling and heating processes; storage of liquids and gases). We present an improved method for the determination of these VLE phenomena in multi component mixtures, and demonstrate its application to vapor compression refrigeration cycle design for a binary mixture of R32 and R134a.

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Pages: 8 p.

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Details

  • Original title: Molecular-level simulation of dew-points of fluid mixtures and application to refrigerant cycle design.
  • Record ID : 30008282
  • Languages: English
  • Source: 4th IIR Conference on Thermophysical Properties and Transfer Processes of Refrigerants
  • Publication date: 2013/06/17

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