Molecular simulations of the thermal and transport properties of alkali chloride salts for high-temperature thermal energy storage
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- 作者：Ge -ChuanQi Pana ; Jing Dinga ; dingjing@mail.sysu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Weilong Wanga ; wwlong@mail.sysu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Jianfeng Lua ; Jiang Lib ; Xiaolan Weic
- 关键词：Molecular simulations ; RNEMD ; Thermal and transport properties ; Alkali chloride salts
- 刊名：International Journal of Heat and Mass Transfer
- 出版年：2016
- 出版时间：December 2016
- 年：2016
- 卷：103
- 期：Complete
- 页码：417-427
- 全文大小：3383 K
文摘
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Thermal properties of alkali chloride salts were simulated including heat capacity, density, viscosity and thermal conductivity.
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The relationship of microstructure and macroscopic properties was discussed.
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Numerical results showed good accuracy and stability of the proposed strategy.
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The BMHTF force field used in this study had been proved to be reasonable to calculate the molten phase properties.