Solvation and solvatochromism in CO2-expanded liquids. 1. Simulations of the solvent systems CO2 cyclohexane, acetonirile, and methanol

Article Abstract:

A report on the molecular dynamics simulations of CO2-expanded cyclohexane, acetonitrile, and methanol is presented at various compositions along the experimental bubble-point curve at 298 K. Results indicate that simple intermolecular potential models developed for simulating the pure components provide reasonable representations of the energetics and dynamics of these gas-expanded liquids.

Industrial Gas Manufacturing, Industrial gases, Cyclic crudes and intermediates, Cyclic Crude and Intermediate Manufacturing, Carbon Dioxide, Cyclohexane, Analysis, Molecular dynamics, Thermal properties

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Effects of salts and ethanol on the population and morphology of triblock copolymer micelles in solution

Article Abstract:

The morphological changes of micelles composed of triblock copolymer of ethylene oxide and propylene oxide in the presence of different inorganic salts and ethanol are examined. The results have highlighted the role of ethanol and salts in the formation of micelle-templated mesoporous materials like SBA-15.

Industrial organic chemicals, not elsewhere classified, Ethanol, Ethyl Alcohol Manufacturing, Alcohol, Micelles, Block copolymers, Structure, Alcohol, Denatured

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