Thermodynamic properties of glycolic acid and glycolide |
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Authors: | V N Emel’yanenko S P Verevkin E N Stepurko G N Roganov M K Georgieva |
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Institution: | (1) Institute of Environmental and Analytical Sciences, College of Chemistry and Chemical Engineering, Henan University, 475004 Kaifeng, Henan, People’s Republic of China; |
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Abstract: | The values of combustion and formation enthalpy for glycolic acid (I) and glycolide (II) were determined by calorimetry. The temperature dependence of vapor pressures of I and II was obtained using the transpiration method, and the sublimation enthalpies were obtained. The enthalpy of melting of I was found by differential scanning calorimetry. Stable conformers were determined by the ab initio (DFT) method, and combinations
of the fundamental oscillations and inertia momenta of I and II conformers were calculated. The full and relative energies of the compounds most stable conformers were found by a composite
G3MP2 method, and the enthalpies of formation of I and II in the gaseous state were estimated. The values of the thermodynamic properties in the ideal gas state were determined over
the range of 0–1500 K. A thermodynamic analysis was performed for the process of preparation of II from I and the formation of polyglycolide (III) from I and II. |
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