Publication detail

Inhomogeneous Monte Carlo simulation of the vapor-liquid equilibrium of benzene between 300 K and 530 K

Janeček J., Krienke H., Schmeer G.

Original Title

Type

journal article - other

Language

English

Original Abstract

The inhomogeneous Monte Carlo technique is used in studying the vapor-liquid interface of benzene in a broad range of temperatures using the TraPPE potential field. The obtained values of the VLE parameters are in good agreement with the experimental values as well as with the results from GEMC simulations. In contrast to the GEMC, within one simulation box the inhomogeneous MC technique also yields information on the structural properties of the interphase between the two phases. The values of the vaporization enthalpy and the vapor pressure very well satisfy the Clausius-Clapeyron equation.

Keywords

benzene, VLE, inhomogeneous Monte Carlo

Authors

Janeček J., Krienke H., Schmeer G.

RIV year

2007

Released

17. 9. 2007

Publisher

ICMP Lviv

Location

Lviv, UA

ISBN

1607-324X

Periodical

Condensed Matter Physics

Year of study

Number

State

Ukraine

Pages from

415

Pages to

423

Pages count

BibTex

@article{BUT44265,
  author="Jiří {Janeček}",
  title="Inhomogeneous Monte Carlo simulation of the vapor-liquid equilibrium of benzene between 300 K and 530 K",
  journal="Condensed Matter Physics",
  year="2007",
  volume="10",
  number="3",
  pages="415--423",
  issn="1607-324X"
}