Results 151 to 160 of about 1,312 (193)

LSER-Based Modeling Vapor Pressures of (Solvent + Salt) Systems by Application of Xiang-Tan Equation

Chinese Journal of Chemical Engineering, 2015
Abstract The study deals with modeling the vapor pressures of (solvent + salt) systems depending on the linear solvation energy relation (LSER) principles. The LSER-based vapor pressure model clarifies the simultaneous impact of the vapor pressure of a pure solvent estimated by the Xiang-Tan equation, the solubility and solvatochromic parameters of ...
Aynur Senol
exaly   +3 more sources

Modeling Vapor Pressures of Solvent Systems With and Without a Salt Effect: An Extension of the LSER Approach

Journal of Chemical Thermodynamics, 2015
Abstract A new polynomial vapor pressure approach for pure solvents is presented. The model is incorporated into the LSER (linear solvation energy relation) based solvation model framework and checked for consistency in reproducing experimental vapor pressures of salt-containing solvent systems.
Aynur Senol
exaly   +3 more sources

LSER Modeling of Extraction of Succinic Acid by Tridodecylamine Dissolved in 2-Octanone and 1-Octanol [PDF]

Journal of Industrial and Engineering Chemistry, 2012
Abstract Reactive extraction can be used for the recovery of carboxylic acids from fermentation broth. Through the formation of complex with extractants at the two-phase interface, the carboxylic acids are partitioned into organic solvents. But, the recovery of carboxylic acids is interrupted by the conditions of fermentation broth.
Hasan Uslu, İsmail İnci
exaly   +3 more sources

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Predicting Leachables Solubilization in Polysorbate 80 Solutions by a Linear Solvation Energy Relationship (LSER)

Pharmaceutical Research, 2021
A linear solvation energy relationship (LSER) was developed to predict the partitioning of neutral chemicals from polysorbate 80 (PS 80) micelles to water. Predicted partition coefficients were converted to a concentration dependent solubilization strength of aqueous PS 80 solutions.
Thomas Egert, Peter Langguth
exaly   +3 more sources

Characterization of the GEMINI C18™ Column: Lipophilicity Measurement and LSER

Journal of Liquid Chromatography and Related Technologies, 2008
Abstract We describe here the use of Gemini C18™ column, a new generation hybrid silica based column, for reversed-phase liquid chromatographic determination of lipophilicity parameters of several structurally different xenobiotics (neutral solutes and ionized drugs). Among the parameters discussed, we show that extrapolated retention factor values log
Eli Grushka
exaly   +2 more sources

Predicting Dermal Permeability of Biocides in Commercial Cutting Fluids Using a LSER Approach

Toxicology Letters, 2007
The aim of this study is to predict dermal permeability of four phenolic biocides in four different formulations using a linear solvation energy relationship (LSER) approach, with a calibrated flow through diffusion cell system. Mathematical descriptors were determined in the laboratory, by mathematical computations, and by statistical methods ...
Vikrant Vijay, Ronald E Baynes
exaly   +3 more sources

Tautomerism in Some Aromatic Schiff Bases and Related Azo Compounds: An LSER Study

Journal of Physical Organic Chemistry, 2005
An LSER study on the tautomerism of some aromatic Schiff bases and related azo compounds has vindicated the picture presented by previous ab initio studies and added further detail of its own. As predicted, the aminoenone tautomer is always the more polar (positive π* term) and, in addition, is specifically favoured by proton donor solvents (α term ...
Liudmil Antonov, Peter J Taylor
exaly   +2 more sources

Combined 1H NMR and LSER Study for the Compound-Specific Interactions Between Organic Contaminants and Organobentonites

Journal of Colloid and Interface Science, 2015
The compound-specific mechanisms for the sorption of organic contaminants onto cetyltrimethylammonium-saturated bentonite (i.e., CTMA-Bentonite) in water were evaluated by (1)H NMR study and Linear Solvation Energy Relationship (LSER) approach. In (1)H NMR study, comparing with pure CTMAB, the up-field shifts of hydrogen peaks for CH2N(+) and CH3N ...
Lizhong Zhu, Guangren Qian, Baoliang Chen   +2 more
exaly   +4 more sources

Development of in Silico Models for Predicting LSER Molecular Parameters and for Acute Toxicity Prediction to Fathead Minnow (Pimephales Promelas)

Chemosphere, 2014
Many chemicals with toxic effects to aquatic species are produced every year. To date, linear solvation energy relationship (LSER) models for toxicity prediction to aquatic species are limited to non-polar and polar narcotic compounds. In this study, the Verhaar scheme was used to classify chemicals into five modes of toxic actions.
Jingwen Chen, Xianhai Yang, Xianliang Qiao   +2 more
exaly   +3 more sources

Reactive Extraction of Levulinic Acid Using TPA in Toluene Solution: LSER Modeling, Kinetic and Equilibrium Studies

Separation Science and Technology, 2008
Abstract Levulinic acid, a carboxylic acid containing ketone structure, is a clear to brownish semi‐solid melting at 37°C; soluble in alcohol, ether, and chloroform, levulinic acid can be used as an acidulant in foods and beverages. Organic solutions of amines are being used increasingly to separate organic acids from aqueous mixture solutions by ...
Hasan Uslu
exaly   +3 more sources