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Prediction of soil sorption coefficients using a universal solvation model

Article Abstract:

A set of effective solvent descriptors was created using a database of 440 molecules, that characterize the organic carbon component of soil. Solute atomic surface tension parameters were combined with this set of effective solvent descriptors. The article is broken down into an introduction, methodology and theory of the study, and the results.

Author: Truhlar, Donald G., Winget, Paul, Cramer, Christopher J.
Publisher: American Chemical Society
Publication Name: Environmental Science & Technology
Subject: Science and technology
ISSN: 0013-936X
Year: 2000
Organic solvents

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Effect of polydispersity of droplets in the prediction of flux distribution in a venturi scrubber

Article Abstract:

In this study, a 2-D model is used along the length of a Venture scrubber to measure the effect of polydispersity of droplets on the liquid flux distribution of the scrubber. The article is broken down into an introduction, a literature review, a discussion of the model and numerical procedure, as well as the results. Various charts and graphs accompany the article.

Author: Shyan, Lim Daw, Viswanathan, Shekar
Publisher: American Chemical Society
Publication Name: Environmental Science & Technology
Subject: Science and technology
ISSN: 0013-936X
Year: 2000

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Factors controlling regioselectivity in the reduction of polynitroaromatics in aqueous solution

Article Abstract:

The fate of nitroaromatics in aquatic environments was investigated by determining the reduction selectivities of 10 polynitroaromatics (PNAs) using analytical and computational methods. The results revealed selective reductions at the negative nitro group of PNAs. The preference for the reduction of the nitro group over the other groups was attributed to kinetic protonation of at the site of maximum negative charge in the radical anion formed after electron transfer to the PNA during formation of the monoamine products.

Author: Truhlar, Donald G., Cramer, Christopher J., Weber, Eric J., Elovitz, Michael S., Barrows, Susan E.
Publisher: American Chemical Society
Publication Name: Environmental Science & Technology
Subject: Science and technology
ISSN: 0013-936X
Year: 1996
Oxidation-reduction reaction, Oxidation-reduction reactions, Polycyclic aromatic compounds

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Subjects list: Research, United States, High technology industry, Research institutes
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