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首页> 外文期刊>International Journal of Polymeric Materials >Thermal Degradation Kinetics and Geometrical Stability of D-Sucrose
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Thermal Degradation Kinetics and Geometrical Stability of D-Sucrose

机译:D-蔗糖的热降解动力学和几何稳定性

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摘要

Thermal degradation kinetics of solid-state D-sucrose and D-glucose were studied using differential thermal analysis (DTA) and thermogravimetric analysis (TGA) techniques. The melting and decomposition process of the two sugars were displayed as endothermic peaks on the DTA curve under nonisothermal conditions. It was noticed that the melting peak temperature of D-glucose was lower than that of the other sugar. For the decomposition processes, the opposite occurred. The decomposition kinetic parameters, such as the decomposition activation energy (Ed) and the frequency factor (K_o), were calculated by employing different approximations. The relative stability of the studied sugars was determined. Molecular mechanics (MM) calculations showed that the optimal geometric structure (OMG) of D-sucrose was at least three orders of magnitude more stable than the molecular geometric (MG) structure. These calculations indicate that the potential energy (PE (kcalmol~(-1))) of the OMG is about three (1.142 x 10~3) orders of magnitude lower than the MG structure of the same sugar. So, optimizing the geometry of the molecular structure (OMG) is very important for understanding the stability of this sugar.
机译:使用差热分析(​​DTA)和热重分析(TGA)技术研究了固态D-蔗糖和D-葡萄糖的热降解动力学。在非等温条件下,两种糖的熔化和分解过程在DTA曲线上显示为吸热峰。注意到D-葡萄糖的熔融峰值温度低于其他糖的熔融峰值温度。对于分解过程,情况恰好相反。通过采用不同的近似值来计算分解动力学参数,例如分解活化能(Ed)和频率因子(K_o)。确定了所研究糖的相对稳定性。分子力学(MM)计算表明,D-蔗糖的最佳几何结构(OMG)比分子几何(MG)结构至少稳定三个数量级。这些计算表明,OMG的势能(PE(kcalmol〜(-1)))比同一糖的MG结构低大约三个(1.142 x 10〜3)个数量级。因此,优化分子结构(OMG)的几何形状对于理解这种糖的稳定性非常重要。

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