Monte Carlo computer simulations are used to study transient cavities and the solvation of hard-spheroid solutes in dipolar hard-sphere solvents. The probability distribution of spheroidal cavities in the solvent is shown to be well described by a Gaussian function, and the variations of fit parameters with cavity elongation and solvent properties are analyzed. The excess chemical potentials of...

The densities, ρ and viscosities, η of NH4Cl, NiCl2 and FeCl3 in dimethylsulfoxide were studied as a function of concentration. The partial molal volume, ( 0 v φ ) of these electrolytes were evaluated. The viscosity and viscosity-coefficients (A and B) were also determined by Jones-Dole equation. B-coefficient for NiCl2 and FeCl3 are positive that show structure making behavior in all the solut...

We report a new progress in elucidating the mechanism of the unidirectional movement of a linear-motor protein (e.g., myosin) along a filament (e.g., F-actin). The basic concept emphasized here is that a potential field is entropically formed for the protein on the filament immersed in solvent due to the effect of the translational displacement of solvent molecules. The entropic potential field...

Direct measurements have been made of the net volume flow through cellulose membranes, due to a difference in concentration of solute across the membrane. The aqueous solutions used included solutes ranging in size from deuterated water to bovine serum albumin. For the semipermeable membrane (impermeable to the solute) the volume flow produced by the osmotic gradient is equal to the flow produc...

We have investigated changes in water properties when deforming an initially spherical cavity into an oblate ellipsoid of equal volume in liquid water. The purely hydrophobic cavity has an initial thermal radius of 6.45 A and is flattened out to an oblate ellipse with a thickness corresponding to one layer of methane molecules. The water-solute interactions are modeled by a repulsive, single-si...

A computational method was developed which relates the empirical linear solvation energy relationship (LSER) solute polarity parameter, S (formerly denoted ), to two more fundamental quantities: a polarizability term and a computed solvent-accessible-surface electrostatic term. Electrostatics computations were conducted explicitly or with dielectric field polarizable continuum models (PCM, SCIP...

A new molecular phenomenon associated with resonance hyper-Raman (HR) scattering in solution has been discovered. Resonance HR spectra of all-trans-beta-carotene and all-trans-lycopene in various solvents exhibited several extra bands that were not assignable to the solute but were unequivocally assigned to the solvents. Neat solvents did not show detectable HR signals under the same experiment...

High-speed counter-current chromatography (HSCCC) is a versatile technique in preparative separation and purification of pure compounds from complex matrices. As a preparative chromatography, there is a need to maximize the column production. Based on the plate theory of Van Deemter, the effect of the sample load on the separation was investigated in a preparative HSCCC with a 1000 ml column ca...

The presence of impurities in aluminum alloys is of great interest with respect to microstructural properties, specifically, the effect of solute on texture and anisotropy. This paper presents new evidence of the pronounced effect of solute drag based on in-situ annealing and Electron Backscatter Diffraction experiments of Zr-rich Al alloys subject to prior strain. A compensation effect was fou...