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首页> 外文期刊>Journal of Physical and Chemical Reference Data >Equation of State for Solid Phase I of Carbon Dioxide Valid for Temperatures up to 800 K and Pressures up to 12 GPa
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Equation of State for Solid Phase I of Carbon Dioxide Valid for Temperatures up to 800 K and Pressures up to 12 GPa

机译：二氧化碳固相I的状态方程，适用于温度高达800 K，压力高达12 GPa

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摘要

The available thermodynamic-property data for solid phase I of carbon dioxide (“dry ice”) are reviewed and used to determine the parameters of a new fundamental equation of state constructed in the form of a Helmholtz energy function with temperature and molar volume as the independent variables. The experimental data considered include the pressure, molar volume, and isobaric heat capacity along the sublimation curve, the melting-pressure curve, and molar volume in the compressed solid at temperatures from 295 to 764 K and pressures up to 12 GPa. The equation of state is based on the quasi-harmonic approximation, incorporating a Debye oscillator distribution for the vibrons, two discrete modes for the librons and a further three distinct modes for the internal vibrations of the CO_2 molecule. A small anharmonic correction term is included, which is significant mainly in the region of the triple point. The estimated relative uncertainty of molar volume at specified temperature and pressure calculated from the equation of state is 0.02% on the sublimation curve and 1.5% in the compressed solid; for isobaric heat capacity on the sublimation curve, the uncertainty varies from 5.0% to 0.5% between 2 and 195 K. Auxiliary equations for the pressure and molar volume on the sublimation and melting curves are given. The equation of state is valid at temperatures from 0 to 800 K and at pressures from the solid–fluid phase boundary to 12 GPa.
机译：审查了二氧化碳（“干冰”）固相I的可用热力学性质数据，并用于确定以温度和摩尔体积为单位的亥姆霍兹能量函数形式构造的新的基本状态方程的参数。自变量。所考虑的实验数据包括在295至764 K的温度和最高12 GPa的压力下沿升华曲线，熔融压力曲线的压力，摩尔体积和等压热容量以及压缩固体中的摩尔体积。状态方程是基于准谐波近似的，其中包括了一个针对振动子的Debye振荡器分布，两个对电子的离散模式以及对CO_2分子内部振动的另外三个不同模式。包含一个小的非谐波校正项，该项主要在三点区域内有效。根据状态方程计算出的在指定温度和压力下摩尔体积的相对不确定度在升华曲线上为0.02％，在压缩固体中为1.5％。对于升华曲线上的等压热容，不确定度从5.0％到0.5％在2至195 K之间变化。给出了升华和熔融曲线上压力和摩尔体积的辅助方程。状态方程在0至800 K的温度以及从固液相边界到12 GPa的压力下有效。

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