Molecular theory for the effects of specific solute-solvent interaction on the diffusion of a solute particle in a molecular liquid

Article Abstract:

Experiments were performed to investigate specific solute-solvent interactions. A dilute solution of solute molecule was examined through the microscopic calculation of the diffusion coefficient of the samples. The Weeks, Chandler and Andersen random phase approximation technique was utilized to obtain the distortion of the solute-solvent pair correlation. A nonlinear dependence on the magnitude of the solute-solvent interactions was exhibited. Moreover, a solvent-berg-like result was recovered from the strong attractive interaction.

Chemistry, Physical and theoretical, Physical chemistry, Solution (Chemistry), Solutions (Chemistry)

---

Multiple time scales in solvation dynamics of DNA in aqueous solution: The role of water, counterions, and cross-correlations

Article Abstract:

The long atomistic molecular dynamics simulations are conducted to investigate the solvation dynamics of DNA bases of a 38 base pair long DNA duplex immersed in an aqueous solution containing counterions and calculated the energy-energy time correlation function (TCF) of the four individual bases to characterize the solvation dynamics. The TCFs exhibit highly nonexponential decay with time and the slow decay commences from the interaction of the nucleotides with the dipolar water molecules and the counterions.

Biological Product (except Diagnostic) Manufacturing, Drugs, Deoxyribonucleic Acid, DNA, Solvation, Aqueous solution reactions, Report

---

Nonideality in binary mixtures: correlations between excess volume, excess viscosity, and diffusion coefficients

Article Abstract:

The composition dependence of viscosity, diffusion, and excess volume of binary mixtures is a problem of great importance in solution chemistry. Much a theoretical studies are directed to supercooled liquids or to phase separation kinetics.

Viscosity, Dynamics, Dynamics (Mechanics), Surface area

Similar abstracts:

• Abstracts: On the effect of a point mutation on the reactivity of CuZn superoxide dismutase: A theoretical study. On the use of the Quasi-Gaussian entropy in systems of polyatomic flexible molecules
• Abstracts: Mechanism of strong luminescence photoactivation of citrate-stablized water-soluble nanoparticles with CdSe cores
• Abstracts: Exploration of the secondary structure specific differential solvation dynamics between the native and molten globule states of the protein HP-36
• Abstracts: A theoretical investigation on the dual-mode photoswitching mechanism of some chiroptical systems. Distribution of hydrophobic ions and their counterions at an aqueous-liquid-liquid interface. A molecular dynamics investigation
• Abstracts: The effect of quasispherical solutes on the smectic-A-nematic and nematic-isotropic phase equilibria in p-n-alkyl-p'-cyanobiphenyl liquid crystals

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.