T 44 Thermodynamic modeling of the reaction of polychlorinated biphenyls with sodium methoxide [Electronic resource] / T. V. Kulikova, A. V. Maiorova, K. Yu. Shunyaev, T. I. Gorbunova, V. I. Saloutin, O. N. Chupakhin // Russian Journal of General Chemistry. - 2013. - Vol.83, №5. - С. 893-900. - Библиогр.: с. 900 (17 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): THERMODYNAMIC MODELING -- SODIUM METHOXIDE -- POLYCHLORINATED BIPHENYLS Аннотация: 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 |