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首页> 外文期刊>Journal of Chemical and Engineering Data: the ACS Journal for Data >Viscosity, Second pVT Virial Coefficient, and Diffusion of Binary Mixtures of Small Alkanes CH4, C2H6, C3H8, n-C4H_(10), i-C4H_(10), n-C5H_(12), i-C5H_(12), and C(CH3)4 Predicted by Means of an Isotropic Temperature-Dependent Potential
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Viscosity, Second pVT Virial Coefficient, and Diffusion of Binary Mixtures of Small Alkanes CH4, C2H6, C3H8, n-C4H_(10), i-C4H_(10), n-C5H_(12), i-C5H_(12), and C(CH3)4 Predicted by Means of an Isotropic Temperature-Dependent Potential

机译:小链烷烃CH4,C2H6,C3H8,n-C4H_(10),i-C4H_(10),n-C5H_(12),i-C5H_(12)和二元混合物的粘度,第二pVT病毒系数和二元混合物的扩散C(CH3)4通过各向同性随温度变化的电位进行预测

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摘要

The isotropic (n-6) Lennard-Jones temperature-dependent potential (LJTDP) together with the Hohm—Zarkova— Damyanova mixing rales is used to predict second interaction pVT virial coefficients B_(AB)(T), interaction viscosities η_(AB)(T), and diffusion coefficients D_(AB)(T) for all 28 binary mixtures of the alkanes CH4, C2H6, C3H8, n-C4H_(10), i-C4H_(10), n-C5H_(12), i-C5H_(12), and C(CH3)4 at low densities. Where possible, the obtained equilibrium and transport data are compared to existing measurements. In general, good agreement is found between experiment and theory. On the basis of these findings, fitting formulas and tables are presented which allow for a fast and reliable estimation of the aforementioned properties in the temperature range between (180 and 1200) K.
机译:各向同性(n-6)的Lennard-Jones温度相关电位(LJTDP)与Hohm-Zarkova-Damyanova混合规则共同用于预测第二相互作用pVT病毒系数B_(AB)(T),相互作用粘度η_(AB) (T)和烷烃CH4,C2H6,C3H8,n-C4H_(10),i-C4H_(10),n-C5H_(12),i的所有28种二元混合物的扩散系数D_(AB)(T) -C5H_(12)和C(CH3)4低密度。在可能的情况下,将获得的平衡和迁移数据与现有测量结果进行比较。通常,在实验和理论之间可以找到很好的一致性。基于这些发现,提出了拟合公式和表格,可以对在(180至1200)K之间的温度范围内的上述特性进行快速而可靠的估算。

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