DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, JS | - |
dc.contributor.author | Hwang, KJ | - |
dc.contributor.author | Hong, SB | - |
dc.contributor.author | No, KT | - |
dc.date.accessioned | 2016-04-01T08:18:25Z | - |
dc.date.available | 2016-04-01T08:18:25Z | - |
dc.date.created | 2010-01-06 | - |
dc.date.issued | 1997-03-20 | - |
dc.identifier.issn | 0253-2964 | - |
dc.identifier.other | 1997-OAK-0000019640 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/27679 | - |
dc.description.abstract | Potential energy function sets for some ion-exchanged A-type zeolites, K-A and Rb11Na1-A, were determined by introducing the X-ray crystal structures as constraints. The potential functions reproduced well the X-ray crystal structures of the monovalent ion-exchanged zeolites. The activation energies for the en- or decapsulation of small molecules (H-2, O-2, N-2, and CH4) and inert gases from the alpha-cage of model zeolites (Na-A, K-A, Rb11Na1-A, and Cs3Na9-A) were obtained by the molecular mechanical calculations. The calculated activation energies agreed well with experimental results. | - |
dc.description.statementofresponsibility | X | - |
dc.language | English | - |
dc.publisher | Korean Chemical Society | - |
dc.relation.isPartOf | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.subject | TEMPERATURE-PROGRAMMED DIFFUSION | - |
dc.subject | LATTICE VIBRATIONAL CALCULATION | - |
dc.subject | MONTE-CARLO CALCULATIONS | - |
dc.subject | TO-CAGE DIFFUSION | - |
dc.subject | SODIUM Y-ZEOLITE | - |
dc.subject | CRYSTAL-STRUCTURES | - |
dc.subject | HYDROGEN ENCAPSULATION | - |
dc.subject | COMPUTER-SIMULATIONS | - |
dc.subject | DYNAMICS SIMULATION | - |
dc.subject | GAS-ADSORPTION | - |
dc.title | Activation Energy for the Decapsulation of Small Molecules from A-Type Zeolites | - |
dc.type | Article | - |
dc.contributor.college | 환경공학부 | - |
dc.author.google | Kim, JS | - |
dc.author.google | Hwang, KJ | - |
dc.author.google | Hong, SB | - |
dc.author.google | No, KT | - |
dc.relation.volume | 18 | - |
dc.relation.issue | 3 | - |
dc.relation.startpage | 280 | - |
dc.relation.lastpage | 286 | - |
dc.contributor.id | 10077624 | - |
dc.relation.journal | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.relation.index | SCI급, SCOPUS 등재논문 | - |
dc.relation.sci | SCI | - |
dc.collections.name | Journal Papers | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.18, no.3, pp.280 - 286 | - |
dc.identifier.wosid | A1997WR49100014 | - |
dc.date.tcdate | 2019-02-01 | - |
dc.citation.endPage | 286 | - |
dc.citation.number | 3 | - |
dc.citation.startPage | 280 | - |
dc.citation.title | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.citation.volume | 18 | - |
dc.contributor.affiliatedAuthor | Hong, SB | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 3 | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | TEMPERATURE-PROGRAMMED DIFFUSION | - |
dc.subject.keywordPlus | LATTICE VIBRATIONAL CALCULATION | - |
dc.subject.keywordPlus | MONTE-CARLO CALCULATIONS | - |
dc.subject.keywordPlus | SODIUM Y-ZEOLITE | - |
dc.subject.keywordPlus | CRYSTAL-STRUCTURES | - |
dc.subject.keywordPlus | COMPUTER-SIMULATIONS | - |
dc.subject.keywordPlus | HYDROGEN ENCAPSULATION | - |
dc.subject.keywordPlus | DYNAMICS SIMULATION | - |
dc.subject.keywordPlus | GAS-ADSORPTION | - |
dc.subject.keywordPlus | NAA ZEOLITE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
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