Heat capacities of Stockmayer fluids from Monte Carlo simulations and perturbation theory

Z. Máté, I. Szalai

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

The heat capacities of dipolar fluids are investigated using a thermodynamic perturbation theory approach and the NVT and NpT Monte Carlo simulation methods. The theoretical results are compared to corresponding simulation data. The comparison shows that the applied perturbation theory is appropriate for the heat capacity calculations. As an application, the isobaric heat capacity of ammonia is also studied by the Stockmayer fluid model.

Original languageEnglish
Pages (from-to)54-60
Number of pages7
JournalFluid Phase Equilibria
Volume289
Issue number1
DOIs
Publication statusPublished - Feb 25 2010

Fingerprint

Specific heat
perturbation theory
specific heat
Fluids
fluids
simulation
data simulation
Ammonia
ammonia
Thermodynamics
thermodynamics
Monte Carlo simulation

Keywords

  • Ammonia
  • Dipolar fluids
  • Isochoric and isobaric heat capacities
  • Stockmayer model

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

Cite this

Heat capacities of Stockmayer fluids from Monte Carlo simulations and perturbation theory. / Máté, Z.; Szalai, I.

In: Fluid Phase Equilibria, Vol. 289, No. 1, 25.02.2010, p. 54-60.

Research output: Contribution to journalArticle

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