کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
217126 1426309 2008 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Cyclic alkylene carbonates. Experiment and first principle calculations for prediction of thermochemical properties
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Cyclic alkylene carbonates. Experiment and first principle calculations for prediction of thermochemical properties
چکیده انگلیسی

The standard molar enthalpies of formation of ethylene carbonate, propylene carbonate, and butylene carbonate were measured using combustion calorimetry. Ab initio calculations of molar enthalpies of formation of alkylene carbonates were performed using the G3MP2 method. The calculated values are in excellent agreement with available experimental data. Ring strain corrections were quantified for the refinement of the group-contribution method for prediction of enthalpies of formation and vaporization of alkylene carbonates.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: The Journal of Chemical Thermodynamics - Volume 40, Issue 9, September 2008, Pages 1428–1432
نویسندگان
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