Conformation and solvation structure for an isolated n-octadecane chain in water, methanol and their mixtures

Article Abstract:

An investigation is carried out on the conformation of n-octadecane and its solvation shell in water, methanol and their mixtures using particle-based Monte Carlo simulations. A detailed analysis of hydrogen-bonding and enrichment of methanol around the solute provides further insight on the solvation process.

Industrial Gas Manufacturing, Industrial gases, Hydrogen, Electric properties, Solvation, Monte Carlo method, Monte Carlo methods

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Temperature dependence of transfer properties: importance of heat capacity effects

Article Abstract:

Gibbs free energies, enthalpies, and entropies for vapor-to-liquid transfers for water over a moderate temperature range to test the applicability of the van't Hoff equation are presented. The structural changes in the solvent phase causing the temperature dependence are also investigated.

Vapor-liquid equilibrium, Chemistry, Physical and theoretical, Physical chemistry, Gibbs' free energy, Vapour-liquid equilibrium

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Temperature dependence of hydrogen bonding: An investigation of the retention of primary and secondary alcohols in gas-liquid chromatography

Article Abstract:

The retention mechanism of alcohols in a dioctyl ether retentive (stationery) phase from the molecular level is examined. The increase in temperature leads to a substantial decline in the separation factor between primary and secondary alcohols.

Liquid chromatography, Ethers, Ethers (Class of compounds), Gas chromatography, Chemical properties

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