نتایج جستجو برای: solute effect theory

تعداد نتایج: 2372389  

In this paper, the effects of several factors such as surfactant concentration, solute concentration, impeller speed and holdup on the mean drop diameter ( ) during emulsification have been studied in a single-stage mixer-settler extractor. A video technique has been developed in order to measure drop size distribution in the mixing chamber using a digital camera. The results show decreases wi...

2002
David M. Huang David Chandler

We have studied the effect of weak solute-solvent attractions on the solvation of nonpolar molecules in water at ambient conditions using an extension and improved parameterization of the theory of solvation due to Lum, Chandler, and Weeks [J. Phys. Chem. B 1999, 103, 4570]. With a reasonable strength of alkanewater interactions, an accurate prediction of the alkane-water interfacial tension is...

Journal: :The Journal of chemical physics 2011
Rintaro Shimada Hiro-o Hamaguchi

Vibronic coupling within the excited electronic manifold of the solute all-trans-β-carotene through the vibrational motions of the solvent cyclohexane is shown to manifest as the "molecular near-field effect," in which the solvent hyper-Raman bands are subject to marked intensity enhancements under the presence of all-trans-β-carotene. The resonance hyper-Raman excitation profiles of the enhanc...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیراز - دانشکده علوم 1391

in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...

Journal: :Biotechnology and bioengineering 2004
Fang Xia Deepak Nagrath Shekhar Garde Steven M Cramer

It is well established that salt enhances the interaction between solutes (e.g., proteins, displacers) and the weak hydrophobic ligands in hydrophobic interaction chromatography (HIC) and that various salts (e.g., kosmotropes, chaotropes, and neutral) have different effects on protein retention. In this article, the solute affinity in kosmotropic, chaotropic, and neutral mobile phases are compa...

Journal: :Chemosphere 2006
Daekeun Kim Zhangli Cai George A Sorial

Single and ternary solute gas phase adsorption isotherms were conducted in this study to evaluate the effectiveness of a simple constant volume method, which was utilized by using Tedlar gas sampling bags as a constant volume batch reactor. For this purpose, gas phase adsorption of toluene, methyl ethyl ketone (MEK), and methyl isobutyl ketone (MIBK) on two types of activated carbons, BPL-bitum...

Journal: :Physical chemistry chemical physics : PCCP 2013
Yasuhito Karino Nobuyuki Matubayasi

Transfer energetics from pure water to a urea-water mixture is examined for a set of amino acid analog solutes by using molecular dynamics simulation and free-energy calculation. The free energy of transfer from pure-water solvent to 8 M urea-water mixed solvent is calculated for each solute, and the urea-water mixture is shown to be a more favorable solvent than pure water. The correlation of ...

Journal: :Zeitschrift für angewandte Mathematik und Physik 2000

1999
Eliot Fried Shaun Sellers

A generalized continuum framework for the theory of solute transport in fluids is proposed and systematically developed. This framework rests on the introduction of a generic force balance for the solute, a balance distinct from the macroscopic momentum balance associated with the mixture. Special forms of such a force balance have been proposed and used going back at least as far as Nernst’s 1...

2001
Xiaoning Yang Carl T. Lira

In this paper, the simplified local density (SLD) theory is combined with the ESD equation of state to study the adsorption of solutes from supercritical carbon dioxide onto activated carbon. Firstly the model was applied to fit the adsorption of toluene+CO2 and benzene+CO2 by using only two temperature-independent parameters. It was shown that this theoretical model is capable of describing th...

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