Molecular dynamics investigations on the condensation and thermophysical properties of R450A on different surfaces

Properties of materials play an essential role in increasing the performance of heat exchangers in refrigeration and air conditioning systems, leading to greater energy efficiency and minimizing environmental impact. In this work, molecular dynamics simulations have been used to investigate the condensation processes and corresponding thermal properties of R450A on various solid surfaces, such as silver, copper, aluminum, nickel, and iron. Our investigations reveal that material properties such as heat transfer efficiency have a significant influence on condensation rate and related thermal properties of refrigerants and surfaces. It is observed that the condensation rate is directly proportional to the thermal conductivity of the material. Silver material has a higher condensation rate ( t = 80 ps) due to high thermal conductivity. The R450A condenses on other materials for time t = 100 ps, 125 ps, 135 ps and 150 ps for copper, aluminum, nickel, and iron, respectively. In addition, we also analyzed other properties related to the condensation process, such as density, energy, velocities, and temperature. The variations in these properties are consistent with the condensation process. These investigations are helpful for identifying the most efficient materials for heat exchangers and condensers, offering valuable guidance for optimizing refrigeration and air conditioning system design and improving thermal management technologies.

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Publication Details

Journal
Chemical Thermodynamics and Thermal Analysis
Published
2025-12-26
DOI
https://doi.org/10.1016/j.ctta.2025.100259
Primary Topic
Heat Transfer and Boiling Studies
Type
article
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Molecular dynamics investigations on the condensation and thermophysical properties of R450A on different surfaces

Ning Chen, Muhammad Asif Shakoori, Misbah Khan, Jian Wen
Chemical Thermodynamics and Thermal Analysis
Heat Transfer and Boiling Studies
article

Molecular dynamics investigations on the condensation and thermophysical properties of R450A on different surfaces

Ning Chen, Muhammad Asif Shakoori, Misbah Khan, Jian Wen
article en

Abstract

Properties of materials play an essential role in increasing the performance of heat exchangers in refrigeration and air conditioning systems, leading to greater energy efficiency and minimizing environmental impact. In this work, molecular dynamics simulations have been used to investigate the condensation processes and corresponding thermal properties of R450A on various solid surfaces, such as silver, copper, aluminum, nickel, and iron. Our investigations reveal that material properties such as heat transfer efficiency have a significant influence on condensation rate and related thermal properties of refrigerants and surfaces. It is observed that the condensation rate is directly proportional to the thermal conductivity of the material. Silver material has a higher condensation rate ( t = 80 ps) due to high thermal conductivity. The R450A condenses on other materials for time t = 100 ps, 125 ps, 135 ps and 150 ps for copper, aluminum, nickel, and iron, respectively. In addition, we also analyzed other properties related to the condensation process, such as density, energy, velocities, and temperature. The variations in these properties are consistent with the condensation process. These investigations are helpful for identifying the most efficient materials for heat exchangers and condensers, offering valuable guidance for optimizing refrigeration and air conditioning system design and improving thermal management technologies.

Chemical Thermodynamics and Thermal AnalysisVol. 21
China University of Mining and Technology (CN), Xi'an Jiaotong University (CN)
Affordable and clean energy
Openalex Percentile: Top 44%
Heat Transfer and Boiling Studies
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