Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 박주양 | - |
dc.date.accessioned | 2018-03-16T00:04:42Z | - |
dc.date.available | 2018-03-16T00:04:42Z | - |
dc.date.issued | 2014-08 | - |
dc.identifier.citation | International Journal of Environmental Research, 2014, 8(3), p.819-830 | en_US |
dc.identifier.issn | 1735-6865 | - |
dc.identifier.uri | https://ijer.ut.ac.ir/m/article_775_0.html | - |
dc.identifier.uri | http://hdl.handle.net/20.500.11754/47533 | - |
dc.description.abstract | The present study is to study linear free energy relationships (LFERs) for dechlorination rates in cement/Fe(II) slurries of eight chlorinated hydrocarbons including carbon tetrachloride, chloroform produced from carbon tetrachloride, 1,1,1-trichloroethane, trichloroethylene produced from 1,1,2,2-tetrachloroethane, tetrachloroethylene, trichloroethylene, 1,1-dichloroethylene, and vinyl chloride, with six descriptor variables in pursuit of finding a reasonable descriptor showing the highest coefficient of determination (R-2). Seventeen descriptors by various computational methods were screened into six descriptors. In addition, this study correlated logarithms of rate constants (log k) with multiple descriptors. The results have shown that the bond dissociation energy, overall free energy change of the one-electron transfer step, and lowest unoccupied molecular orbital energies calculated by ab initio methods with 6-31G* parameters were strongly correlated with the log k values of eight compounds by Fe(II) in cement slurries. The combinations of descriptors that had the highest correlation coefficient in multiple regression were one-electron reduction potential and gas-phase homolytic-dissociation energy (E-1 and DR-X), which two variables are commonly based on that a dissociative one-electron transfer is the initial and rate-limiting step in the reaction. | en_US |
dc.description.sponsorship | This research was funded primarily with funds from the State of Texas as part of the program of the Texas Hazardous Waste Research Center. The contents do not necessarily reflect the views and policies of the sponsor nor does the mention of trade names or commercial products constitute endorsement or recommendation for use. Some experimental data and analyses were obtained from the research supported by Mid-career Researcher Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (No. 2011-0027581). | en_US |
dc.language.iso | en | en_US |
dc.publisher | UNIV TEHRAN | en_US |
dc.subject | Reductive Dechlorination | en_US |
dc.subject | Linear Free-Energy | en_US |
dc.subject | Chlorinated Aliphatic Hydrocarbons | en_US |
dc.subject | Degradative Solidification/Stabilization | en_US |
dc.title | Linear Free Energy Relationship Analysis of Chlorinated Hydrocarbons in Cement Slurries | en_US |
dc.type | Article | en_US |
dc.relation.no | 3 | - |
dc.relation.volume | 8 | - |
dc.identifier.doi | 10.22059/ijer.2014.775 | - |
dc.relation.page | 819-830 | - |
dc.relation.journal | INTERNATIONAL JOURNAL OF ENVIRONMENTAL RESEARCH | - |
dc.contributor.googleauthor | Jung, B.M. | - |
dc.contributor.googleauthor | Batchelor, B. | - |
dc.contributor.googleauthor | Park, J.Y. | - |
dc.contributor.googleauthor | Abdel-Wahab, A. | - |
dc.relation.code | 2014031466 | - |
dc.sector.campus | S | - |
dc.sector.daehak | COLLEGE OF ENGINEERING[S] | - |
dc.sector.department | DEPARTMENT OF CIVIL AND ENVIRONMENTAL ENGINEERING | - |
dc.identifier.pid | jooypark | - |
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