scholarly journals Molecular Modeling of Thermodynamic and Transport Properties for CO2 and Aqueous Brines

2017 ◽  
Vol 50 (4) ◽  
pp. 751-758 ◽  
Author(s):  
Hao Jiang ◽  
Ioannis G. Economou ◽  
Athanassios Z. Panagiotopoulos
Keyword(s):  
Molecular Modeling ◽  
Transport Properties ◽  
Thermodynamic And Transport Properties

Molecular Modeling and Experimental Studies of the Thermodynamic and Transport Properties of Pyridinium-Based Ionic Liquids

2006 ◽  
Vol 110 (6) ◽  
pp. 2821-2832 ◽  
Author(s):  
Cesar Cadena ◽  
Qi Zhao ◽  
Randall Q. Snurr ◽  
Edward J. Maginn
Keyword(s):  
Ionic Liquids ◽  
Molecular Modeling ◽  
Transport Properties ◽  
Experimental Studies ◽  
Thermodynamic And Transport Properties

Effect of increasing the cation chain length on thermodynamic and transport properties of ionic liquids using Molecular Dynamics

2021 ◽  
pp. 116430
Author(s):  
E.G. Blanco-Díaz ◽  
G. González-Alatorre ◽  
F.J. Lona-Ramírez ◽  
E.O. Castrejón-González
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Transport Properties ◽  
Chain Length ◽  
Thermodynamic And Transport Properties

Thermodynamic and Transport Properties of Some Disaccharides in Aqueous Ammonium Sulfate Solutions at Various Temperatures

2008 ◽  
Vol 53 (8) ◽  
pp. 1713-1724 ◽  
Author(s):  
Parampaul K. Banipal ◽  
Vickramjeet Singh ◽  
Gurpreet Kaur ◽  
Mandeep Kaur ◽  
Tarlok S. Banipal
Keyword(s):  
Transport Properties ◽  
Ammonium Sulfate ◽  
Sulfate Solutions ◽  
Thermodynamic And Transport Properties

Interpreting equilibrium-conductivity and conductivity-relaxation measurements to establish thermodynamic and transport properties for multiple charged defect conducting ceramics

2015 ◽  
Vol 182 ◽  
pp. 49-74 ◽  
Author(s):  
Huayang Zhu ◽  
Sandrine Ricote ◽  
W. Grover Coors ◽  
Robert J. Kee
Keyword(s):  
Transport Properties ◽  
Material Properties ◽  
Ceramic Materials ◽  
Barium Zirconate ◽  
Charged Defect ◽  
Conductivity Measurements ◽  
Conductivity Relaxation ◽  
Kinetics Parameters ◽  
Relaxation Measurements ◽  
Thermodynamic And Transport Properties

A model-based interpretation of measured equilibrium conductivity and conductivity relaxation is developed to establish thermodynamic, transport, and kinetics parameters for multiple charged defect conducting (MCDC) ceramic materials. The present study focuses on 10% yttrium-doped barium zirconate (BZY10). In principle, using the Nernst–Einstein relationship, equilibrium conductivity measurements are sufficient to establish thermodynamic and transport properties. However, in practice it is difficult to establish unique sets of properties using equilibrium conductivity alone. Combining equilibrium and conductivity-relaxation measurements serves to significantly improve the quantitative fidelity of the derived material properties. The models are developed using a Nernst–Planck–Poisson (NPP) formulation, which enables the quantitative representation of conductivity relaxations caused by very large changes in oxygen partial pressure.

Studies on the importance of thermodynamic and transport properties of liquid mixtures at various temperatures

2018 ◽  
Vol 132 (2) ◽  
pp. 1167-1181 ◽  
Author(s):  
B. Mukesh ◽  
M. Gowrisankar ◽  
T. Srinivasa Krishna ◽  
T. Sreekanth
Keyword(s):  
Transport Properties ◽  
Liquid Mixtures ◽  
Thermodynamic And Transport Properties
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