Phase Equilibrium Measurements for Binary Mixtures of Methyl Benozoate Plus CO2, C2H6 and C2H4.

Self-diffusion and Binary Maxwell-Stefan Diffusion Coefficients of Quadrupolar Real Fluids from Molecular Simulation

Selfand binary Maxwell-Stefan diffusion coefficients were determined by equilibrium molecular dynamics simulations with the Green-Kubo method. This study covers selfdiffusion coefficients at liquid states for eight pure fluids, i.e. F2, N2, CO2, CS2, C2H6, C2H4, C2H2 and SF6 as well as Maxwell-Stefan diffusion coefficients for three binary mixtures N2+CO2, N2+C2H6 and CO2+C2H6. The fluids were ...

Group Contribution Method for Predicting the Phase Behavior of Binary Mixtures Containing Carbon Dioxide

Reactions of Fe+ and FeO+ with C2H2, C2H4, and C2H6: temperature-dependent kinetics.

We present the first temperature-dependent rate constants and branching ratios for the reactions of Fe(+) and FeO(+) with C2H2, C2H4, and C2H6 from 170 to 700 K. Fe(+) is observed to react only by association with the three hydrocarbons, with temperature dependencies of T(-2) to T(-3). FeO(+) reacts with C2H2 and C2H4 at the collision rate over the temperature range, and their respective produc...

Dynamics and Separation-based Adsorption of Binary Mixtures of CH4, CO2 and H2S on MIL-47: GCMC and MD Studies

This study aimed to investigate the adsorption of CH4, CO2, H2S at a temperature of 298.15 K and pressurerange of 0.1 to 30 atm, and compare the results with experimental data for MIL-47 using GCMC. Themaximum CH4, CO2 and H2S adsorptions were 3.6, 10.45, and 12.57 mol.kg-1, respectively. In addition, theselectivity for binary mixtures of CH4/CO2 and CH4/H2S was calculated. Th...

Solid-Liquid Equilibrium of Binary and Ternary Mixtures of Lipids Under Higher Pressure of CO2 for PGSS Process Development

Solid-liquid equilibria of solid mixtures in compressed CO2 are very important in assessing the feasibility of gas-assisted micronization processes such as PGSS (Particles from Gas-Saturated Solution). The determination of solid-liquid transition temperatures, the eutectic temperature and the associated composition of the melt can be problematic and time-consuming. Such data are required in the...