Thermodynamic modeling of the reaction of polychlorinated biphenyls with sodium methoxide |
| |
| Authors: | T V Kulikova A V Maiorova K Yu Shunyaev T I Gorbunova V I Saloutin O N Chupakhin |
| |
| Institution: | 1. Institute of Metallurgy, Ural Branch, Russian Academy of Sciences, ul. Amundsena 101, Yekaterinburg, 620016, Russia
2. Postovskii Institute of Organic Synthesis, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Russia
|
| |
| Abstract: | Thermochemical parameters, like standard enthalpy of formation (ΔH 298 0 ), enthalpy increment from 0 to 298 K (H 298 0 - H 0 0 ), standard heat capacity (C p298 0 ) and its temperature dependence Cp(T)], and entropy (S 298 0 ), were calculated for the gaseous methoxy derivatives formed from polychlotinated biphenyl (PCB) congeners. Thermodynamic modeling and the HSC software were used to evaluate the reactivity of PCB congeners toward sodium methoxide in DMSO, and the calculation results were compared with experimental data. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
