对称三角 Rosen-Morse 加 Pὂschl-Teller 势的摩尔焓和热容

C.A. Onate, J.A. Akinpelu, O.O. Ajani, B.B. Deji-Jinadu, F.O. Aweda, J.B. Fashae, O.O. Jegede
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引用次数: 0

摘要

有些势模型只针对开放系统进行研究,即使应用于某些模型,其理论值也不能被观测数据所证明,这类势模型包括对称三角罗森-莫尔斯势和某些类型的Pὂschl-Teller势。它们之所以无法再现观测数据,是因为其势能参数缺乏物理意义。为了使这些势能更有用、更有趣,本研究将对称三角罗森-莫尔斯势能和一种 Pὂschl-Teller 势能结合起来,并将势能参数转换为光谱参数,以适应分子研究。修改后的势能被用于研究一些分子的热力学性质(恒压下的焓和热容)。修正势能的各种热力学性质的数值结果再现了所研究的四种分子中某些分子的实验数据。四种分子中每种分子的预测结果的平均百分比偏差小于 1%,证明与实验数据非常吻合。
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Molar enthalpy and heat capacity for symmetric trigonometric Rosen-Morse plus Pὂschl-Teller potential
Some potential models are only studied for open systems even though applied to certain models, the theoretical value cannot be justified by the observed data, such potential model includes the symmetric trigonometric Rosen-Morse potential and some certain types of Pὂschl-Teller potential. Their inability to reproduce the observed data is due to the potential parameters that lack physical meanings. To make these types of potentials more useful and interesting, the present study combined the symmetric trigonometric Rosen-Morse potential and a type of Pὂschl-Teller potential and transformed the potential parameters to spectroscopic parameters to suit molecular study. The energy of the modified potential is applied to the study of some thermodynamic properties (enthalpy and heat capacity at constant pressure) for some molecules. The numerical results of the various thermodynamic properties of the modified potential reproduced experimental data for some molecules for the four molecules studied. The predicted results for each of the four molecules has average percentage deviation of less than one percent justifying an excellent agreement with the experimental data.
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来源期刊
CiteScore
8.40
自引率
0.00%
发文量
100
审稿时长
33 weeks
期刊介绍: The journal has a particular interest in publishing papers on the unique issues facing chemical engineering taking place in countries that are rich in resources but face specific technical and societal challenges, which require detailed knowledge of local conditions to address. Core topic areas are: Environmental process engineering • treatment and handling of waste and pollutants • the abatement of pollution, environmental process control • cleaner technologies • waste minimization • environmental chemical engineering • water treatment Reaction Engineering • modelling and simulation of reactors • transport phenomena within reacting systems • fluidization technology • reactor design Separation technologies • classic separations • novel separations Process and materials synthesis • novel synthesis of materials or processes, including but not limited to nanotechnology, ceramics, etc. Metallurgical process engineering and coal technology • novel developments related to the minerals beneficiation industry • coal technology Chemical engineering education • guides to good practice • novel approaches to learning • education beyond university.
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