{"title":"O(3P)-O+(4S)和O(1D)-O+(4S)相互作用的共振电荷交换和碰撞积分。","authors":"Zi Ding and Linhua Liu","doi":"10.1039/D5CP01234A","DOIUrl":null,"url":null,"abstract":"<p >Oxygen atom (O) collision with oxygen ions (O<small><sup>+</sup></small>) plays a crucial role in air plasma systems. This work presents a theoretical study of inelastic (resonance charge transfer), elastic, and total collision integrals for O(<small><sup>3</sup></small>P)–O<small><sup>+</sup></small>(<small><sup>4</sup></small>S) and O(<small><sup>1</sup></small>D)–O<small><sup>+</sup></small>(<small><sup>4</sup></small>S) interactions in the temperature range of 500–50 000 K. The calculation is performed using the semi-classical method, based on the high-level potential energy curves obtained by the state-of-the-art <em>ab initio</em> method. The resonance charge exchange cross sections are in good agreement with those experiment values. The contributions of elastic and inelastic collision processes to the diffusion collision integrals are quantitatively estimated. The calculated collision data can be used to support the simulation of high-temperature air plasmas.</p>","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":" 35","pages":" 18141-18151"},"PeriodicalIF":2.9000,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Resonance charge exchange and collision integrals for O(3P)–O+(4S) and O(1D)–O+(4S) interactions\",\"authors\":\"Zi Ding and Linhua Liu\",\"doi\":\"10.1039/D5CP01234A\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Oxygen atom (O) collision with oxygen ions (O<small><sup>+</sup></small>) plays a crucial role in air plasma systems. This work presents a theoretical study of inelastic (resonance charge transfer), elastic, and total collision integrals for O(<small><sup>3</sup></small>P)–O<small><sup>+</sup></small>(<small><sup>4</sup></small>S) and O(<small><sup>1</sup></small>D)–O<small><sup>+</sup></small>(<small><sup>4</sup></small>S) interactions in the temperature range of 500–50 000 K. The calculation is performed using the semi-classical method, based on the high-level potential energy curves obtained by the state-of-the-art <em>ab initio</em> method. The resonance charge exchange cross sections are in good agreement with those experiment values. The contributions of elastic and inelastic collision processes to the diffusion collision integrals are quantitatively estimated. The calculated collision data can be used to support the simulation of high-temperature air plasmas.</p>\",\"PeriodicalId\":99,\"journal\":{\"name\":\"Physical Chemistry Chemical Physics\",\"volume\":\" 35\",\"pages\":\" 18141-18151\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2025-08-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physical Chemistry Chemical Physics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2025/cp/d5cp01234a\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Chemistry Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2025/cp/d5cp01234a","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Resonance charge exchange and collision integrals for O(3P)–O+(4S) and O(1D)–O+(4S) interactions
Oxygen atom (O) collision with oxygen ions (O+) plays a crucial role in air plasma systems. This work presents a theoretical study of inelastic (resonance charge transfer), elastic, and total collision integrals for O(3P)–O+(4S) and O(1D)–O+(4S) interactions in the temperature range of 500–50 000 K. The calculation is performed using the semi-classical method, based on the high-level potential energy curves obtained by the state-of-the-art ab initio method. The resonance charge exchange cross sections are in good agreement with those experiment values. The contributions of elastic and inelastic collision processes to the diffusion collision integrals are quantitatively estimated. The calculated collision data can be used to support the simulation of high-temperature air plasmas.
期刊介绍：
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions.
The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
