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| Home > Publications database > Diffusion in binary gas mixtures studied by NMR of hyperpolarized gases and molecular dynamic simulations > print |
| 001 | 51634 | ||
| 005 | 20180211185507.0 | ||
| 024 | 7 | _ | |2 pmid |a pmid:16971986 |
| 024 | 7 | _ | |2 DOI |a 10.1039/b609316g |
| 024 | 7 | _ | |2 WOS |a WOS:000240545000004 |
| 024 | 7 | _ | |2 ISSN |a 1463-9076 |
| 037 | _ | _ | |a PreJuSER-51634 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 540 |
| 084 | _ | _ | |2 WoS |a Chemistry, Physical |
| 084 | _ | _ | |2 WoS |a Physics, Atomic, Molecular & Chemical |
| 100 | 1 | _ | |a Acosta, R. H. |b 0 |0 P:(DE-HGF)0 |
| 245 | _ | _ | |a Diffusion in binary gas mixtures studied by NMR of hyperpolarized gases and molecular dynamic simulations |
| 260 | _ | _ | |c 2006 |a Cambridge |b RSC Publ. |
| 300 | _ | _ | |a 4182 - 4188 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |a Physical Chemistry Chemical Physics |x 1463-9076 |0 4916 |v 8 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a The dependence of the individual mean square displacement of rare gases in binary mixtures is studied by a combined experimental and theoretical approach. We show that the diffusion constant can be varied in a considerable range by changing the molar fractions of the mixtures. On the experimental side, NMR diffusion measurements are done on hyperpolarized 3He and 129Xe, mixed with several inert buffer gases, in the presence of a magnetic field gradient. The results are compared to diffusion coefficients obtained from atomistic molecular dynamics simulations based on Lennard-Jones type potentials of the corresponding gas mixtures, and to appropriate analytical expressions, yielding very good mutual agreement. This study is the first quantitative validation of the effects of the mutual interactions between gas particles on the individual diffusion properties. It is shown that the dependency of gas phase diffusion properties on the local chemical environment may not be neglected, e.g. in diffusion-controlled chemical reactions. |
| 536 | _ | _ | |a Terrestrische Umwelt |c P24 |2 G:(DE-HGF) |0 G:(DE-Juel1)FUEK407 |x 0 |
| 588 | _ | _ | |a Dataset connected to Web of Science, Pubmed |
| 650 | _ | 2 | |2 MeSH |a Complex Mixtures: analysis |
| 650 | _ | 2 | |2 MeSH |a Complex Mixtures: chemistry |
| 650 | _ | 2 | |2 MeSH |a Computer Simulation |
| 650 | _ | 2 | |2 MeSH |a Diffusion |
| 650 | _ | 2 | |2 MeSH |a Gases: analysis |
| 650 | _ | 2 | |2 MeSH |a Gases: chemistry |
| 650 | _ | 2 | |2 MeSH |a Magnetic Resonance Spectroscopy: methods |
| 650 | _ | 2 | |2 MeSH |a Models, Chemical |
| 650 | _ | 2 | |2 MeSH |a Models, Molecular |
| 650 | _ | 2 | |2 MeSH |a Molecular Weight |
| 650 | _ | 2 | |2 MeSH |a Particle Size |
| 650 | _ | 2 | |2 MeSH |a Static Electricity |
| 650 | _ | 7 | |0 0 |2 NLM Chemicals |a Complex Mixtures |
| 650 | _ | 7 | |0 0 |2 NLM Chemicals |a Gases |
| 650 | _ | 7 | |a J |2 WoSType |
| 700 | 1 | _ | |a Agulles-Pedrós, L. |b 1 |0 P:(DE-HGF)0 |
| 700 | 1 | _ | |a Komin, S. |b 2 |0 P:(DE-HGF)0 |
| 700 | 1 | _ | |a Sebastianai, D. |b 3 |0 P:(DE-HGF)0 |
| 700 | 1 | _ | |a Spiess, H. W. |b 4 |0 P:(DE-HGF)0 |
| 700 | 1 | _ | |a Blümler, P. |b 5 |u FZJ |0 P:(DE-Juel1)VDB49819 |
| 773 | _ | _ | |0 PERI:(DE-600)1476244-4 |a 10.1039/b609316g |g Vol. 8, p. 4182 - 4188 |p 4182 - 4188 |q 8<4182 - 4188 |t Physical Chemistry Chemical Physics |v 8 |x 1463-9076 |y 2006 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1039/b609316g |
| 909 | C | O | |o oai:juser.fz-juelich.de:51634 |p VDB |
| 913 | 1 | _ | |k P24 |v Terrestrische Umwelt |l Terrestrische Umwelt |b Erde und Umwelt |0 G:(DE-Juel1)FUEK407 |x 0 |
| 914 | 1 | _ | |y 2006 |
| 915 | _ | _ | |a JCR/ISI refereed |0 StatID:(DE-HGF)0010 |2 StatID |
| 915 | _ | _ | |a JCR |0 StatID:(DE-HGF)0100 |2 StatID |
| 915 | _ | _ | |a WoS |0 StatID:(DE-HGF)0111 |2 StatID |b Science Citation Index Expanded |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0150 |2 StatID |b Web of Science Core Collection |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0199 |2 StatID |b Thomson Reuters Master Journal List |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0300 |2 StatID |b Medline |
| 920 | 1 | _ | |k ICG-III |l Phytosphäre |d 31.12.2006 |g ICG |0 I:(DE-Juel1)VDB49 |x 0 |
| 970 | _ | _ | |a VDB:(DE-Juel1)81078 |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a ConvertedRecord |
| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a I:(DE-Juel1)IBG-2-20101118 |
| 980 | _ | _ | |a UNRESTRICTED |
| 981 | _ | _ | |a I:(DE-Juel1)IBG-2-20101118 |
| 981 | _ | _ | |a I:(DE-Juel1)ICG-3-20090406 |
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