α-、β-和γ-环糊精复合玫瑰红素的燃烧、形成和熔融标准焓的计算

R. I. Jalmakhanbetova, Y. Suleimen, B. K. Kasenov
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引用次数: 4

摘要

燃烧焓是化学热力学和热化学中最重要的物理量之一。在现有的计算天然和合成有机化合物燃烧热的方法中,在我们的情况下,最可接受和最正确的是Karash方法。本研究计算了抗生素玫瑰粉及其环糊精衍生物的标准燃烧焓、标准生成焓和熔化焓。根据研究结果,计算了上述化合物的标准燃烧焓、标准生成焓和熔化焓的热力学常数,这些常数对它们参与的过程的物理化学建模很有兴趣,可以作为加载到基础热力学数据库和参考书中的初始信息数组,对这些复合物的标准化和认证也很重要。应该指出的是,在所研究的配合物的结构中存在大量的羟基,使得它们被归为极性化合物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
CALCULATE THE STANDARD ENTHALPIES OF COMBUSTION, FORMATION AND MELTING OF THE COMPLEX ROSEOFUNGIN WITH α-, β- and γ-CYCLODEXTRIN
One of the most important quantities in chemical thermodynamics and thermochemistry is the enthalpy of combustion. Of the currently existing methods for calculating the heat of combustion of natural and synthetic organic compounds, the most acceptable and correct in our case was the Karash method. In this study, the standard enthalpy of combustion, the standard enthalpy of formation, and the melting enthalpy of the antibiotic roseofungin and its cyclodextrin derivatives were calculated. As a result of the study, the thermodynamic constants of the standard enthalpies of combustion, standard enthalpies of formation, and the enthalpies of melting of the above compounds were calculated, which are of interest for physicochemical modeling of processes with their participation, serve as initial information arrays for loading into fundamental thermodynamic data banks and reference books, and is also important for standardization and certification of these complexes. It should be noted that the presence of a large number of hydroxyl groups in the structures of the studied complexes allows them to be attributed to polar compounds.
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