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Thermodynamic Properties Of Chlorocarbons And Kinetic Analysis For A- And B -Addition Of Oh+C2h3cl, Li Zhu
Thermodynamic Properties Of Chlorocarbons And Kinetic Analysis For A- And B -Addition Of Oh+C2h3cl, Li Zhu
Theses
Thermodynamic properties, ΔHf°298, S°298 and Cp(T) 300≤T/K≤1500, for C1, C2 chlorocarbons are calculated by AM1 and PM3 in MOPAC6, then compared with the literature data. AM1- and PM3-derived S°298 and Cp(T) (300≤T/K≤1500) are found to be consistent with the literature (Rd ≤ ± 5%). ΔHf°298 of CH2Cl2, CH2ClCH2Cl, CH2ClCHCl2, CHCl2CHCl2, and C2Cl4 and C2Cl2 calculated by PM3 as well as ΔHf°298 of CCl4, C2HCl3, …