First-Principles Calculation of the Cross Second Virial Coefficient and the Dilute Gas Shear Viscosity, Thermal Conductivity, and Binary Diffusion Coefficient of the (H2O + N2) System

Robert Hellmann

doi:10.1021/acs.jced.9b00822

First-Principles Calculation of the Cross Second Virial Coefficient and the Dilute Gas Shear Viscosity, Thermal Conductivity, and Binary Diffusion Coefficient of the (H2O + N2) System

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.9b00822 ◽

2019 ◽

Vol 64 (12) ◽

pp. 5959-5973 ◽

Cited By ~ 2

Author(s):

Robert Hellmann

Keyword(s):

Thermal Conductivity ◽

Diffusion Coefficient ◽

Shear Viscosity ◽

First Principles ◽

Virial Coefficient ◽

Second Virial Coefficient ◽

First Principles Calculation ◽

Binary Diffusion Coefficient ◽

Binary Diffusion ◽

Dilute Gas

Download Full-text

Correction to “First-Principles Calculation of the Cross Second Virial Coefficient and the Dilute Gas Shear Viscosity, Thermal Conductivity, and Binary Diffusion Coefficient of the (H2O + N2) System”

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.0c00248 ◽

2020 ◽

Vol 65 (4) ◽

pp. 2251-2252

Author(s):

Robert Hellmann

Keyword(s):

Thermal Conductivity ◽

Diffusion Coefficient ◽

Shear Viscosity ◽

First Principles ◽

Virial Coefficient ◽

Second Virial Coefficient ◽

First Principles Calculation ◽

Binary Diffusion Coefficient ◽

Binary Diffusion ◽

Dilute Gas

Download Full-text

First-Principles Calculation of the Air–Water Second Virial Coefficient

International Journal of Thermophysics ◽

10.1007/s10765-007-0197-8 ◽

2007 ◽

Vol 28 (2) ◽

pp. 556-565 ◽

Cited By ~ 20

Author(s):

A. H. Harvey ◽

P. H. Huang

Keyword(s):

First Principles ◽

Virial Coefficient ◽

Second Virial Coefficient ◽

First Principles Calculation

Download Full-text

Cross second virial coefficient and dilute gas transport properties of the (H2O + CO2) system from first-principles calculations

Fluid Phase Equilibria ◽

10.1016/j.fluid.2018.11.033 ◽

2019 ◽

Vol 485 ◽

pp. 251-263 ◽

Cited By ~ 5

Author(s):

Robert Hellmann

Keyword(s):

Transport Properties ◽

First Principles ◽

Virial Coefficient ◽

Gas Transport ◽

Second Virial Coefficient ◽

First Principles Calculations ◽

Dilute Gas ◽

Gas Transport Properties

Download Full-text

Corrigendum to ‘‘Cross second virial coefficient and dilute gas transport properties of the (H2O + CO2) system from first-principles calculations’’ [Fluid Phase Equilib. 485 (2019) 251–263]

Fluid Phase Equilibria ◽

10.1016/j.fluid.2020.112624 ◽

2020 ◽

Vol 518 ◽

pp. 112624 ◽

Cited By ~ 2

Author(s):

Robert Hellmann

Keyword(s):

Transport Properties ◽

First Principles ◽

Virial Coefficient ◽

Gas Transport ◽

Second Virial Coefficient ◽

Fluid Phase ◽

First Principles Calculations ◽

Dilute Gas ◽

Gas Transport Properties

Download Full-text

Correction to: First-Principles Calculation of the Air–Water Second Virial Coefficient

International Journal of Thermophysics ◽

10.1007/s10765-020-02744-2 ◽

2020 ◽

Vol 41 (12) ◽

Author(s):

A. H. Harvey ◽

P. H. Huang

Keyword(s):

First Principles ◽

Virial Coefficient ◽

Second Virial Coefficient ◽

First Principles Calculation

Download Full-text

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

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.0c00465 ◽

2020 ◽

Vol 65 (8) ◽

pp. 4130-4141 ◽

Cited By ~ 1

Author(s):

Robert Hellmann

Keyword(s):

Reference Values ◽

First Principles ◽

Diffusion Coefficients ◽

Virial Coefficients ◽

Binary Diffusion ◽

Second Virial Coefficients ◽

Dilute Gas ◽

Binary Diffusion Coefficients ◽

The Cross

Download Full-text

Large Thermal Conductivity Switch Ratio in Barium Titanate Under Electric Field through First-Principles Calculation

Advanced Theory and Simulations ◽

10.1002/adts.201800098 ◽

2018 ◽

Vol 1 (12) ◽

pp. 1800098 ◽

Cited By ~ 4

Author(s):

Chenhan Liu ◽

Vivek Mishra ◽

Yunfei Chen ◽

Chris Dames

Keyword(s):

Thermal Conductivity ◽

Barium Titanate ◽

Electric Field ◽

First Principles ◽

First Principles Calculation

Download Full-text

Anomalous layer thickness dependent thermal conductivity of Td-WTe2 through first-principles calculation

Physics Letters A ◽

10.1016/j.physleta.2020.126751 ◽

2020 ◽

Vol 384 (30) ◽

pp. 126751

Author(s):

Chao Wu ◽

Chenhan Liu ◽

Yi Tao ◽

Yan Zhang ◽

Yunfei Chen

Keyword(s):

Thermal Conductivity ◽

Layer Thickness ◽

First Principles ◽

First Principles Calculation

Download Full-text

Infinite-Dilution Binary Diffusion Coefficient, Partition Ratio, and Partial Molar Volume for Ubiquinone CoQ10 in Supercritical Carbon Dioxide

Industrial & Engineering Chemistry Research ◽

10.1021/ie0109096 ◽

2002 ◽

Vol 41 (11) ◽

pp. 2812-2818 ◽

Cited By ~ 39

Author(s):

Toshitaka Funazukuri ◽

Chang Yi Kong ◽

Seiichiro Kagei

Keyword(s):

Carbon Dioxide ◽

Diffusion Coefficient ◽

Supercritical Carbon Dioxide ◽

Molar Volume ◽

Partial Molar Volume ◽

Infinite Dilution ◽

Partition Ratio ◽

Binary Diffusion Coefficient ◽

Binary Diffusion ◽

Supercritical Carbon

Download Full-text

First-Principles Calculation of the Isotope Effect on Boron Nitride Nanotube Thermal Conductivity

Nano Letters ◽

10.1021/nl802503q ◽

2009 ◽

Vol 9 (1) ◽

pp. 81-84 ◽

Cited By ~ 68

Author(s):

Derek A. Stewart ◽

Ivana Savić ◽

Natalio Mingo

Keyword(s):

Thermal Conductivity ◽

Boron Nitride ◽

Isotope Effect ◽

First Principles ◽

First Principles Calculation ◽

Boron Nitride Nanotube

Download Full-text