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Thermodynamic properties of glycolic acid and glycolide
Authors:V N Emel’yanenko  S P Verevkin  E N Stepurko  G N Roganov  M K Georgieva
Institution:(1) Institute of Environmental and Analytical Sciences, College of Chemistry and Chemical Engineering, Henan University, 475004 Kaifeng, Henan, People’s Republic of China;
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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