Detail publikace

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

Janeček J., Krienke H., Schmeer G.

Originální název

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

Typ

článek v časopise - ostatní, Jost

Jazyk

angličtina

Originální abstrakt

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.

Klíčová slova

benzene, VLE, inhomogeneous Monte Carlo

Autoři

Janeček J., Krienke H., Schmeer G.

Rok RIV

2007

Vydáno

17. 9. 2007

Nakladatel

ICMP Lviv

Místo

Lviv, UA

ISSN

1607-324X

Periodikum

Condensed Matter Physics

Ročník

10

Číslo

3

Stát

Ukrajina

Strany od

415

Strany do

423

Strany počet

9

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"
}