Cosolvent effects of modified supercritical carbon dioxide on cross-linked poly(dimethylsiloxane)

Article Abstract:

The cosolvent effects of supercritical carbon dioxide on cross-linked poly(dimethysiloxane)(PDMS) were investigated using supercritical fluid chromatography (SFC). The SFC equilibrates the mobile supercritical fluid phase and the polymeric stationary base and the mobile phase properties are altered due to the inclusion of polar or protic cosolvents. The cosolvent is divided with the integration of FTIR spectroscopy and the dilation of PDMS. The results of the process are used to analyze the corrections needed for alterations in retention time of analytes.

Methods, Supercritical fluid chromatography, Dimethylpolysiloxane

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Simulation study on the diffusive motion in deeply supercooled water

Article Abstract:

A study on supercooled liquid water investigated its diffusion process using molecular dynamics simulation that employed a system of 216 ST2-model molecules. The simulations were performed in the temperature range between 255 K and 360 K. The experiment focused on the single particle dynamics in supercooled water and suggests a change in the underlying diffusion mechanism as the origin of the observed strong variation of the apparent activation energy of the dynamic properties.

Case studies, Water, Supercooled liquids, Molecular dynamics, Diffusion, Diffusion (Physics)

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Modeling of aqueous poly(oxyethylene) solutions: 1. Atomistic simulations

Article Abstract:

The performance of different force fields in combination with TIP4P-Ewald (TIP4P-Ew) water in reproducing experimental data of liquid 1,2-dimethoxyethane (DME) and its aqueous solutions is explored for conformer populations, densities of solutions and self-diffusion coefficients. The results have shown that the force field in combination with the TIP4P-Ew water model is suitable for the simulations of poly(oxyethylene) oligomers in aqueous solution.

Science & research, Ethanes, Ethane, Mechanical properties, Oligomers, Structure, Chemical properties

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