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Estimation of 2nd-order derivative thermodynamic properties using the crossover lattice equation of state

机译:使用状态交叉格点方程估算二阶导数热力学性质

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摘要

We apply the crossover lattice equation of state (xLF EOS) [M.S. Shin, Y. Lee, H. Kim, J. Chem. Thermodyn. 40 (2007) 174–179] to the calculations of thermodynamic 2nd-order derivative properties (isochoric heat capacity, isobaric heat capacity, isothermal compressibility, thermal expansion coefficient, Joule–Thompson coefficient, and sound speed). This equation of state is used to calculate the same properties of pure systems (carbon dioxide, normal alkanes from methane to propane). We show that, over a wide range of states, the equation of state yields properties with better accuracy than the lattice equation of state (LF EOS), and near the critical region, represents singular behavior well.
机译:我们应用状态的交叉晶格方程(xLF EOS)[M.S. Shin,Y. Lee,H.Kim,J.Chem。 Thermodyn。 40(2007)174–179]计算热力学二阶导数性质(等容热容,等压热容,等温可压缩性,热膨胀系数,焦耳-汤普森系数和声速)。该状态方程用于计算纯系统的相同属性(二氧化碳,从甲烷到丙烷的正构烷烃)。我们证明,在广泛的状态范围内,状态方程产生的特性比状态晶格方程(LF EOS)的精度更高,并且在临界区域附近很好地表现出奇异行为。

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