Fluids - Application Notes

• Adsorption on Carbon Nanotubes by GCMC Simulations

• Water Sorption on Sodium Faujasite by Monte Carlo Simulations

• Micelle Formation by a Short Chain Cationic Surfactant

• Properties of natural gases in classical and in HP-HT conditions

• Colloidal behavior of confined model asphaltenes using MD Simulations

• Self-diffusion coefficients for pure acetone and toluene at different temperatures from molecular dynamics simulations

• Energies of Stable Conformers in Heavy Alkanes and Triglycerides

• Self Diffusion of Argon

• Prediction of ideal heat capacity, Cp,id(T), of alkanolamines and amides: a combined QM – QSPR approach

• A Predictive Model of Acid Gas Rates of Absorption in Aqueous Amine Solvents

• Organic Materials Properties: Densities, Cohesive Energies, and Heats of Vaporization

• GPU Acceleration in LAMMPS

• Density calculation for organics using PCFF+, in HT mode