The NMR spectra of four solutes, used as probes of liquid crystal orientational order, were analyzed. For each solute, samples were prepared at different solute concentrations, and the concentration dependence was used to extrapolate zero-concentration properties. The mean-field (Maier-Saupe) model when applied to solutes neglects solute-solute interactions and assumes all solutes in a mixed-so...

We obtain improved asymptotic solutions to the spin-coating with small evaporation model. In particular, the spinning of a solute-free fluid, and a two-component solvent–solute solution are studied. In addition, the non-negligible effect of the rise of solute concentration on the solution viscosity at the end of the spin-coating process is considered. 2013 Elsevier Inc. All rights reserved.

This is a review. Non-electrolytic compounds typically cross cell membranes by passive diffusion. The rate of permeation is dependent on the chemical properties of the solute and the composition of the lipid bilayer membrane. Predicting the permeability coefficient of a solute is important in pharmaceutical chemistry and toxicology. Molecular simulation has proven to be a valuable tool for mode...

Linear stability analysis is performed for the onset of thermosolutal convection in a horizontal fluid layer with rigid-rigid boundaries. The temperature field between the walls of the fluid layer consists of two parts: a steady part and a time-dependent periodic part that oscillates with time. Only infinitesimal disturbances are considered. The effect of temperature modulation on the onset of ...

In this paper, we studied effect of different parameters including density, viscosity, interfacial tension and solute transfer concentration on phase inversion hold-up. The results showed that change in phase density ratio had no effect on phase inversion hold-up. It also disclosed that the phase viscosity ratio was the most effective parameter affecting phase inversion hold-up and each phase h...

Weak pi hydrogen-bonded solute/solvent complexes are studied with ultrafast two-dimensional infrared (2D-IR) vibrational echo chemical exchange spectroscopy, temperature-dependent IR absorption spectroscopy, and density functional theory calculations. Eight solute/solvent complexes composed of a number of phenol derivatives and various benzene derivatives are investigated. The complexes are for...

In this theoretical study, we focus on a kind of danunarane sapogenins. This molecule optimized in venoussolvent media such as heptao, carbontetrachloride, toluene. tetrahydrofurane, dichloroethane, ethanol, methanol,dimethylsulfoxide and water using the self-consistent reaction field model. This process depends on either thereaction potential function of the solvent or charge transfer operator...

Absorption of radiation by solution is described by its frequency-dependent dielectric function and can be viewed as a specific application of the dielectric theory of solutions. For ideal solutions, the dielectric boundary-value problem separates the polar response into the polarization of the void in the liquid, created by the solute, and the response of the solute dipole. In the case of a pr...

The effect of impurities on the surface and interfacial melting of ice is investigated in the context of the Derjaguin-Landau-Verwey-Overbeek theory by calculating van der Waals and Coulombic interactions within interfacial solution films. At high temperatures, the classical solute effect dominates the melting behavior. However, depending on the amount of impurity, as temperature decreases the ...

In this article we present a multistate continuum theory for multiple charge transfer reactions such as proton-coupled electron transfer and multiple proton transfer reactions. The solute is described with a multistate valence bond model, the solvent is represented as a dielectric continuum, and the transferring protons are treated quantum mechanically. This theory provides adiabatic free energ...