Second virial coefficient of bounded repulsive potentials
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2018.07.037
Abstract: Abstract Exact series expansion formulas are derived for the second virial coefficient, SVC, of a wide range of purely repulsive bounded potentials. The focus is on the consequences of the functional form, choice of disposable… read more here.
Keywords: coefficient bounded; bounded repulsive; repulsive potentials; second virial ... See more keywords
Calculation of cross second virial coefficients using ab initio intermolecular potential energy surfaces for dimer H2-N2
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2018.10.016
Abstract: Abstract The ab initio intermolecular pair potentials of dimer H2-N2 were calculated from all constructed orientations, using the level of the theory CCSD(T) and basis sets aug-cc-pVmZ (m = 2, 3, 4, 23, 24, 34). The complete… read more here.
Keywords: basis sets; intermolecular potential; second virial; cross second ... See more keywords
Cross second virial coefficient and dilute gas transport properties of the (H2O + CO2) system from first-principles calculations
Sign Up to like & getrecommendations! Published in 2019 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2018.11.033
Abstract: Abstract The cross second virial coefficient and three dilute gas transport properties (shear viscosity, thermal conductivity, and binary diffusion coefficient) of mixtures of water (H2O) and carbon dioxide (CO2) were calculated with high accuracy for… read more here.
Keywords: transport properties; coefficient; virial coefficient; second virial ... See more keywords
Empirical correlations for second virial coefficients of associated and quantum fluids covering a wide temperature range
Sign Up to like & getrecommendations! Published in 2021 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2021.113133
Abstract: Abstract Characterizing interactions between two molecules, the second virial coefficient is of great value in calculating the effect of the real-fluid imperfection. The corresponding-state principle followed, the second-virial-coefficient correlation proposed in our previous work was… read more here.
Keywords: quantum fluids; associated quantum; correlations second; temperature ... See more keywords
Reference Values for the Cross Second Virial Coefficients and Dilute Gas Binary Diffusion Coefficients of the Systems (H2O + O2) and (H2O + Air) from First Principles
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.0c00465
Abstract: The cross second virial coefficients and dilute gas binary diffusion coefficients of water (H2O) in oxygen (O2) and air were predicted with high accuracy for temperatures up to 2000 K using statist... read more here.
Keywords: dilute gas; second virial; virial coefficients; gas binary ... See more keywords
The classical and quantum second virial coefficient of low-density 132Xe vapor in the temperature-range 0.1 mK–30 000 K
Sign Up to like & getrecommendations! Published in 2019 at "Physica Scripta"
DOI: 10.1088/1402-4896/ab4761
Abstract: The second virial coefficient B for 132xenon (132Xe) vapor is evaluated over the broad temperature-range 0.1 mK–30 000 K. The classical expression for B, B cl, is used, as well as the first quantum correction… read more here.
Keywords: 132xe vapor; quantum; second virial; virial coefficient ... See more keywords
Fully Analytical Evaluation of Second Virial Coefficient with Stockmayer Potential and Its Applications
Sign Up to like & getrecommendations! Published in 2020 at "High Temperature"
DOI: 10.1134/s0018151x20050053
Abstract: In this study, fully analytical treatment for evaluating the second virial coefficient with Stockmayer potential is presented. This approach is based on the binomial expansion theorems and basic integrals for the analytical representation of the… read more here.
Keywords: virial coefficient; coefficient stockmayer; second virial; stockmayer potential ... See more keywords