Dielectric Constant of R410A: A Study Applying Molecular Dynamics Simulations and New Experimental Data

The dielectric behavior of R410A is analyzed through Molecular Dynamics (MD) simulations and experimental measurements in both liquid and vapor phases. The simulations are conducted using force fields proposed in the literature for R32 and R125. The simulated results are initially validated against data from the literature for the liquid phase, with deviations below 0.35% and 5.41% for density and the dielectric constant, respectively. To expand the analysis, experimental measurements of the dielectric constant are performed for both liquid and vapor phases under controlled pressure and temperature conditions. The MD simulations performed under the same conditions reproduce the experimental data, with deviations of 2.72% for the liquid phase and 7.83% for the vapor phase. These results support the use of the selected force fields and expand the available dielectric constant data for R410A, providing a basis for evaluating and characterizing other refrigerants with similar electrical properties, including potential low-GWP alternatives.

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Publication Details

Journal
Journal of Chemical & Engineering Data
Published
2025-12-04
DOI
https://doi.org/10.1021/acs.jced.5c00587
Primary Topic
Refrigeration and Air Conditioning Technologies
Type
article
Field-Weighted Citation Impact
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article

Dielectric Constant of R410A: A Study Applying Molecular Dynamics Simulations and New Experimental Data

Ricardo Augusto Mazza, Luís Fernando Mercier Franco, Valter Souza Blande, Gabriela Pereira Toledo et al.
Journal of Chemical & Engineering Data
Refrigeration and Air Conditioning Technologies
article

Dielectric Constant of R410A: A Study Applying Molecular Dynamics Simulations and New Experimental Data

Ricardo Augusto Mazza, Luís Fernando Mercier Franco, Valter Souza Blande, Gabriela Pereira Toledo, Estefânia Pintor Canzian
article en

Abstract

The dielectric behavior of R410A is analyzed through Molecular Dynamics (MD) simulations and experimental measurements in both liquid and vapor phases. The simulations are conducted using force fields proposed in the literature for R32 and R125. The simulated results are initially validated against data from the literature for the liquid phase, with deviations below 0.35% and 5.41% for density and the dielectric constant, respectively. To expand the analysis, experimental measurements of the dielectric constant are performed for both liquid and vapor phases under controlled pressure and temperature conditions. The MD simulations performed under the same conditions reproduce the experimental data, with deviations of 2.72% for the liquid phase and 7.83% for the vapor phase. These results support the use of the selected force fields and expand the available dielectric constant data for R410A, providing a basis for evaluating and characterizing other refrigerants with similar electrical properties, including potential low-GWP alternatives.

Journal of Chemical & Engineering DataVol. 71(1)
Universidade Estadual de Campinas (UNICAMP) (BR), Rede de Química e Tecnologia (PT)
Openalex Percentile: Top 60%
Refrigeration and Air Conditioning Technologies
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