Oil & Gas Science and Technology

Éditorial - Colloque sur l’application industrielle de la thermodynamique moléculaire (InMoTher)

Improving the Modeling of Hydrogen Solubility in Heavy Oil Cuts Using an Augmented Grayson Streed (AGS) Approach

Improving Group Contribution Methods by Distance Weighting

Numerical Investigation of an Absorption-Diffusion Cooling Machine Using C₃H₈/C₉H₂₀ as Binary Working Fluid

Thermodynamic Properties of 1:1 Salt Aqueous Solutions with the Electrolattice Equation of State

Influence of the Periodic Boundary Conditions on the Fluid Structure and on the Thermodynamic Properties Computed from the Molecular Simulations

Comparison of Predicted pK_a Values for Some Amino-Acids, Dipeptides and Tripeptides, Using COSMO-RS, ChemAxon and ACD/Labs Methods

Isotherms of Fluids in Native and Defective Zeolite and Alumino-Phosphate Crystals: Monte-Carlo Simulations with “On-the-Fly” ab initio Electrostatic Potential

Improving Molecular Simulation Models of Adsorption in Porous Materials: Interdependence between Domains