Quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw
Quantum fluctuations significantly increase the self-diffusive motion of para-hydrogen adsorbed in narrow carbon nanotubes at 30 K comparing to its classical counterpart. Rigorous Feynman’s path integral calculations reveal that self-diffusive motion of para-hydrogen in a narrow (6,6) carbon nanotub...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
Royal Society of Chemistry
2011
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| Online Access: | http://hdl.handle.net/20.500.11937/48029 |
| _version_ | 1848757996869386240 |
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| author | Kowalczyk, Piotr Gauden, P. Terzyk, A. Furmaniak, S. |
| author_facet | Kowalczyk, Piotr Gauden, P. Terzyk, A. Furmaniak, S. |
| author_sort | Kowalczyk, Piotr |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Quantum fluctuations significantly increase the self-diffusive motion of para-hydrogen adsorbed in narrow carbon nanotubes at 30 K comparing to its classical counterpart. Rigorous Feynman’s path integral calculations reveal that self-diffusive motion of para-hydrogen in a narrow (6,6) carbon nanotube at 30 K and pore densities below ~29 mmol cm-3 is one order of magnitude faster than the classical counterpart. We find that the zero-point energy and tunnelling significantly smoothed out the free energy landscape of para-hydrogen molecules adsorbed in a narrow (6,6) carbon nanotube. This promotes a delocalization of the confined para-hydrogen at 30 K (i.e., population of unclassical paths due to quantum effects). Contrary the self-diffusive motion of classical para-hydrogen molecules in a narrow (6,6) carbon nanotube at 30 K is very slow. This is because classical para-hydrogen molecules undergo highly correlated movement when their collision diameter approached the carbon nanotube size (i.e., anomalous diffusion in quasi-one dimensional pores). On the basis of current results we predict that narrow single-walled carbon nanotubes are promising nanoporous molecular sieves being able to separate para-hydrogen molecules from mixtures of classical particles at cryogenic temperatures. |
| first_indexed | 2025-11-14T09:36:58Z |
| format | Journal Article |
| id | curtin-20.500.11937-48029 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T09:36:58Z |
| publishDate | 2011 |
| publisher | Royal Society of Chemistry |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-480292017-09-13T15:58:41Z Quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw Kowalczyk, Piotr Gauden, P. Terzyk, A. Furmaniak, S. Quantum fluctuations significantly increase the self-diffusive motion of para-hydrogen adsorbed in narrow carbon nanotubes at 30 K comparing to its classical counterpart. Rigorous Feynman’s path integral calculations reveal that self-diffusive motion of para-hydrogen in a narrow (6,6) carbon nanotube at 30 K and pore densities below ~29 mmol cm-3 is one order of magnitude faster than the classical counterpart. We find that the zero-point energy and tunnelling significantly smoothed out the free energy landscape of para-hydrogen molecules adsorbed in a narrow (6,6) carbon nanotube. This promotes a delocalization of the confined para-hydrogen at 30 K (i.e., population of unclassical paths due to quantum effects). Contrary the self-diffusive motion of classical para-hydrogen molecules in a narrow (6,6) carbon nanotube at 30 K is very slow. This is because classical para-hydrogen molecules undergo highly correlated movement when their collision diameter approached the carbon nanotube size (i.e., anomalous diffusion in quasi-one dimensional pores). On the basis of current results we predict that narrow single-walled carbon nanotubes are promising nanoporous molecular sieves being able to separate para-hydrogen molecules from mixtures of classical particles at cryogenic temperatures. 2011 Journal Article http://hdl.handle.net/20.500.11937/48029 10.1039/c1cp20184k Royal Society of Chemistry restricted |
| spellingShingle | Kowalczyk, Piotr Gauden, P. Terzyk, A. Furmaniak, S. Quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw |
| title | Quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw |
| title_full | Quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw |
| title_fullStr | Quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw |
| title_full_unstemmed | Quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw |
| title_short | Quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw |
| title_sort | quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw |
| url | http://hdl.handle.net/20.500.11937/48029 |