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首页> 外文期刊>Thermochimica Acta: An International Journal Concerned with the Broader Aspects of Thermochemistry and Its Applications to Chemical Problems >ACCURATE ANALYTICAL EXPRESSIONS OF THERMODYNAMIC PROPERTIES OF SUPERCRITICAL LENNARD-JONES FLUIDS
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ACCURATE ANALYTICAL EXPRESSIONS OF THERMODYNAMIC PROPERTIES OF SUPERCRITICAL LENNARD-JONES FLUIDS

机译：超临界伦纳德·琼斯流体热力学性质的精确解析表达式

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Extensive computer simulations have been carried out in order to obtain analytical expressions for such thermodynamic properties as the Helmholtz free energy, internal energy, entropy, equation of state, isothermal compressibility, thermal expansion coefficient, heat capacities at constant volume and constant pressure, etc., of a Lennard-Jones fluid. The proposed expressions combine accuracy with simplicity and they are valid over the entire supercritical region. The number of simulated states was 265, covering a range of temperatures T = (1.3-2.6) and densities from rho = (0.1-0.844) (both in reduced units). The given number of states permits us to fit the computer simulation data by the corresponding analytical expressions with a total guarantee of confidence. Because the heat capacity at constant pressure is related to the other quantities, such as the internal energy (through the heat capacity at constant volume) and to the equation of state (through the isothermal compressibility and the thermal expansion coefficient), in testing the goodness of our analytical relations we compared our C-p values with other theoretical values taken from the literature, and found excellent agreement. We also compared our C-p results with experimental data for argon, using our own recently proposed Lennard-Jones intermolecular parameters. Good agreement was again found. (C) 1997 Elsevier Science B.V. [References: 27]
机译：为了获得诸如亥姆霍兹自由能，内能，熵，状态方程，等温压缩率，热膨胀系数，恒定体积和恒定压力下的热容量等热力学性质的分析表达式，已经进行了广泛的计算机模拟。是Lennard-Jones流体的。所提出的表达式将准确性与简单性相结合，并且它们在整个超临界区域均有效。模拟状态的数量为265，覆盖的温度范围为T =（1.3-2.6），密度范围为rho =（0.1-0.844）（均以缩减单位表示）。给定的状态数使我们能够通过相应的分析表达式来拟合计算机仿真数据，从而完全放心。因为恒压下的热容量与其他量有关，例如内部能量（通过恒量下的热容量）和状态方程（通过等温压缩性和热膨胀系数），所以在测试优良度时在我们的分析关系中，我们将Cp值与文献中的其他理论值进行了比较，并发现了极好的一致性。我们还使用我们自己最近提出的Lennard-Jones分子间参数将C-p结果与氩气的实验数据进行了比较。再次达成良好的协议。 （C）1997 Elsevier Science B.V. [参考：27]

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