Henry's constant analysis for water and nonpolar solvents from experimental data, macroscopic models, and molecular simulation

Article Abstract:

Analysis of experimental data for the HenryEs constant of solutes in water and in organic solvents at different temperatures is presented. The result reveals that the free energy of cavity formation for hosting the solute molecule in the solvent and the free energy of interactions between the solute molecule and the solvent.

Water chemistry, Chemistry, Analytic, Analytical chemistry, Organic solvents

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Perturbed chain-statistical associating fluid theory extended to dipolar and quadrupolar molecular fluids

Article Abstract:

The perturbed chain statistical associating fluid theory (PC-SAFT) model is extended to polar fluids based on a rigorous statistical mechanics model. The truncated polar PC-SAFT model is used for the calculation of thermodynamic properties of various quadrupolar pure fluids.

Fluid mechanics, Thermal properties, Fluids, Chemical thermodynamics

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Diffusion of long n-alkanes in silicate. A comparison between neutron scattering experiments and hierarchical simulation results

Article Abstract:

A new quasi-elastic neuron scattering (QENS) data for the self-diffusion of alkanes up to C(sub 6) in silicalite is discussed. It is found that the discrepancy observed with PFG-NMR data is an indirect indication of transport barriers due to defects within the crystals.

All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Silicates, Electric properties, Neurons, Nuclear magnetic resonance, Alkanes

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