On the solvation of ions in small water droplets

Article Abstract:

The solvations of positively and negatively charged model ions in water droplets using Monte Carlo simulations performed with a polarizable intermolecular potential function model were studied. It was observed that an increased ionic charge localizes the ion to the central regions of the droplet whereas a large polarizability and a large ionic radius favor locations close to the surface of the water droplet.

Usage, Monte Carlo method, Monte Carlo methods, Evaporation

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Evaluation of Poisson solvation models using a hybrid explicit/implicit solvent method

Article Abstract:

A hybrid explicit/implicit solvent methodology is used to evaluate the accuracy of several Poisson-based implicit solvent models. It is shown that, among various dielectric boundary definitions, the Lee-Richards molecular surface has the best agreement with hybrid solvent results.

Analysis, Poisson processes

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Solvation dynamics at aqueous lipid-membrane interfaces explored by temperature-dependent 3-pulse-echo peak shifts: influence of the lipid polymorphism

Article Abstract:

An investigation is made on the structural relaxations relevant to the solvation dynamics of a cyanine dye. In order to carry out this investigation, three pulse photon echo peak shift experiments are conducted, which are explained in the study.

Cyanides, Structure

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