Heat capacities of Stockmayer fluids from Monte Carlo simulations and perturbation theory |
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Authors: | Z. Má té ,I. Szalai |
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Affiliation: | Institute of Physics, University of Pannonia, H-8201 Veszprém, PO Box 158, 8200 Veszprem, Hungary |
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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. |
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Keywords: | Isochoric and isobaric heat capacities Dipolar fluids Stockmayer model Ammonia |
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