Journal ArticleDOI
Solubilities of anthracene, fluoranthene and pyrene in organic solvents: Comparison of calculated values using UNIFAC and modified UNIFAC (Dortmund) models with experimental data and values using the mobile order theory
TLDR
In this paper, the authors used both UNIFAC and Modified UNAC (Dortmund) models to estimate the activity coefficient of anthracene in 43 organic solvents, fluoranthene and pyrene.Abstract:
The solubility of anthracene in 43 organic solvents, fluoranthene (45 solvents) and pyrene (30 solvents) has been calculated using UNIFAC and Modified UNIFAC (Dortmund) models to estimate the activity coefficient of the solute. It was found that both UNIFAC and Modified UNIFAC described better the solubilities in polar solvents like alcohols, ketones, esters and ethers than in nonpolar solvents like alkanes and aromatic hydrocarbons. UNIFAC and the Mobile Order Theory supplement each other well in calculating the solubilities, which means that one can choose the right model depending on the solvent one is using.read more
Citations
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universidade de santiago de compostela
TL;DR: In this article, the formulation of totally formaldehydefree adhesives based on tannins obtained from some lignocellulosic forest and/or industrial wastes was considered.
Journal ArticleDOI
Revision of MOSCED Parameters and Extension to Solid Solubility Calculations
Michael J. Lazzaroni,David Bush, ,† and,Charles A. Eckert,Timothy C. Frank,and Sumnesh Gupta,James D. Olson +5 more
TL;DR: In this article, the MOSCED model has been applied to solid−liquid equilibria correlation and compared with the experimental data available in the literature, and the correlation of solubility of 26 solids in organic solvents has an average absolute deviation of 25% This compares favorably to the prediction of the modified UNIFAC model.
Journal ArticleDOI
Solubility predictions for crystalline nonelectrolyte solutes dissolved in organic solvents based upon the Abraham general solvation model
TL;DR: In this paper, the Abraham general solvation model was used to predict the saturation solubility of crystalline nonelectrolyte solutes in organic solvents and derived equations take the form of log (CS/CW) = c +...
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Complete degradation of anthracene by Manganese Peroxidase in organic solvent mixtures
TL;DR: In this article, the authors developed a system based on the use of the ligninolytic enzyme Manganese Peroxidase (MnP) for the degradation of polycyclic aromatic hydrocarbons (PAHs), of which anthracene was selected as an example.
Journal ArticleDOI
Solubility prediction of anthracene in mixed solvents using a minimum number of experimental data.
TL;DR: Numerical methods to predict the solubility of anthracene in mixed solvents have been proposed and the quantitative relationships between sub-binary interaction terms and physicochemical properties of the solvent have been presented.
References
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Journal ArticleDOI
Group‐contribution estimation of activity coefficients in nonideal liquid mixtures
TL;DR: In this article, a group-contribution method is presented for the prediction of activity coefficients in nonelectrolyte liquid mixtures, which combines the solution-of-functional-groups concept with a model for activity coefficients based on an extension of the quasi chemical theory of liquid mixture (UNIQUAC).
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Vapor-liquid equilibria by UNIFAC group contribution. 6. Revision and extension
TL;DR: In this paper, the parameters for 46 group combinations are provided and a new main group for sulfones is introduced, for which the group interaction parameters for eight main groups are fitted.
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A modified UNIFAC model. 1. Prediction of VLE, hE, and .gamma..infin.
Ulrich Weidlich,Juergen Gmehling +1 more
TL;DR: Modification de la methode UNIFAC de telle maniere que l'equilibre liquide-vapeur, les coefficients d'activites pour des dilutions infinies and les enthalpies de melange puissent etre calcules suffisamment exactement avec un seul set of parametres as discussed by the authors.
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A Modified UNIFAC (Dortmund) Model. 3. Revision and Extension
TL;DR: The group contribution method Modified UNIFAC (Dortmund) is a well-known model for the reliable prediction of phase equilibria (VLE, LLE, SLE of eutectic systems, azeotropic data and γ∞) and excess...
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