Molar enthalpy and heat capacity for symmetric trigonometric Rosen-Morse plus Pὂschl-Teller potential

{"title":"Molar enthalpy and heat capacity for symmetric trigonometric Rosen-Morse plus Pὂschl-Teller potential","authors":"","doi":"10.1016/j.sajce.2024.10.007","DOIUrl":null,"url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":21926,"journal":{"name":"South African Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"South African Journal of Chemical Engineering","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1026918524001227","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Social Sciences","Score":null,"Total":0}
引用次数: 0

Abstract

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.
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
对称三角 Rosen-Morse 加 Pὂschl-Teller 势的摩尔焓和热容
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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
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.
期刊最新文献
Green technologies in food colorant extraction: A comprehensive review Molar enthalpy and heat capacity for symmetric trigonometric Rosen-Morse plus Pὂschl-Teller potential Integration of mathematical and experimental modeling for sustainable phycobiliprotein production via fed-batch cultures Optimization of microwave-assisted hydrolysis of glucose from oil palm empty fruit bunch Methods used in the identification and quantification of micro(nano)plastics from water environments
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1