E. García-Pérez, J. B. Parra, C. O. Ania, A. García-Sánchez, J. M. van Baten, R. Krishna, D. Dubbeldam, S. Calero
{"title":"A computational study of CO2, N2, and CH4 adsorption in zeolites","authors":"E. García-Pérez, J. B. Parra, C. O. Ania, A. García-Sánchez, J. M. van Baten, R. Krishna, D. Dubbeldam, S. Calero","doi":"10.1007/s10450-007-9039-z","DOIUrl":null,"url":null,"abstract":"<p>\nThe adsorption properties of CO<sub>2</sub>, N<sub>2</sub> and CH<sub>4</sub> in all-silica zeolites were studied using molecular simulations. Adsorption isotherms for single components in MFI were both measured and computed showing good agreement. In addition simulations in other all silica structures were performed for a wide range of pressures and temperatures and for single components as well as binary and ternary mixtures with varying bulk compositions. The adsorption selectivity was analyzed for mixtures with bulk composition of 50:50 CO<sub>2</sub>/CH<sub>4</sub>, 50:50 CO<sub>2</sub>/N<sub>2</sub>, 10:90 CO<sub>2</sub>/N<sub>2</sub> and 5:90:5 CO<sub>2</sub>/N<sub>2</sub>/CH<sub>4</sub> in MFI, MOR, ISV, ITE, CHA and DDR showing high selectivity of adsorption of CO<sub>2</sub> over N<sub>2</sub> and CH<sub>4</sub> that varies with the type of crystal and with the mixture bulk composition.\n</p>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"13 5-6","pages":"469 - 476"},"PeriodicalIF":3.0000,"publicationDate":"2007-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s10450-007-9039-z","citationCount":"146","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Adsorption","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10450-007-9039-z","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 146
Abstract
The adsorption properties of CO2, N2 and CH4 in all-silica zeolites were studied using molecular simulations. Adsorption isotherms for single components in MFI were both measured and computed showing good agreement. In addition simulations in other all silica structures were performed for a wide range of pressures and temperatures and for single components as well as binary and ternary mixtures with varying bulk compositions. The adsorption selectivity was analyzed for mixtures with bulk composition of 50:50 CO2/CH4, 50:50 CO2/N2, 10:90 CO2/N2 and 5:90:5 CO2/N2/CH4 in MFI, MOR, ISV, ITE, CHA and DDR showing high selectivity of adsorption of CO2 over N2 and CH4 that varies with the type of crystal and with the mixture bulk composition.
期刊介绍：
The journal Adsorption provides authoritative information on adsorption and allied fields to scientists, engineers, and technologists throughout the world. The information takes the form of peer-reviewed articles, R&D notes, topical review papers, tutorial papers, book reviews, meeting announcements, and news.
Coverage includes fundamental and practical aspects of adsorption: mathematics, thermodynamics, chemistry, and physics, as well as processes, applications, models engineering, and equipment design.
Among the topics are Adsorbents: new materials, new synthesis techniques, characterization of structure and properties, and applications; Equilibria: novel theories or semi-empirical models, experimental data, and new measurement methods; Kinetics: new models, experimental data, and measurement methods. Processes: chemical, biochemical, environmental, and other applications, purification or bulk separation, fixed bed or moving bed systems, simulations, experiments, and design procedures.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
