Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
New Look at Thermodynamics of Gas and at Clusterization
Authors:
Maslov, VP
Author Full Names:
Maslov, V. P.
Source:
RUSSIAN JOURNAL OF MATHEMATICAL PHYSICS 15 (4): 493-510 DEC 2008
Language:
English
Document Type:
Article
Keywords Plus:
CARBON NANOTUBES; QUASI-PARTICLES; QUANTIZATION; NUCLEATION; FERMIONS; BOSONS; WATER; LAW
Abstract:
In the paper, by using the example of a rigorous formulation and rigorous proof of the Maxwell distribution, estimates for the distribution in dependence of the parameter N (the number of particles) are established. Further, the problem concerning the creation of dimers in classical gas is regarded as an analog of Bose condensation, and estimates for the lower level of the analog of Bose condensation are proved. The relationship between this level and the theory of "capture" in the scattering problem corresponding to interaction in the form of Lennard-Jones potential is clarified.
The equation of state of a nonideal gas as a result of pairwise interaction of particles in the Lennard-Jones and Kihara models is derived.
New quantum equations for the transfer of neutral gas consisting of particles with evenly and oddly many neutrons in capillaries and nanotubes are also presented.
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36
Times Cited:
0
Publisher:
MAIK NAUKA/INTERPERIODICA/SPRINGER; 233 SPRING ST, NEW YORK, NY 10013-1578 USA
Subject Category:
Physics, Mathematical
ISSN:
1061-9208
DOI:
10.1134/S1061920808040079
IDS Number:
382LL
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Title:
Uncovering channels in photosystem II by computer modelling: current progress, future prospects, and lessons from analogous systems
Authors:
Ho, F
Author Full Names:
Ho, Felix M.
Source:
PHOTOSYNTHESIS RESEARCH 98 (1-3): 503-522 OCT 2008
Language:
English
Document Type:
Review
Author Keywords:
Photosystem II; Molecular dynamics; Channels; Substrate water access; H+ exit pathway; O-2 exit pathway
Keywords Plus:
CYTOCHROME-C-OXIDASE; OXYGEN-EVOLVING COMPLEX; PHOTOSYNTHETIC WATER OXIDATION; HEME-COPPER OXIDASES; QUANTUM MECHANICS/MOLECULAR MECHANICS; MOLECULAR-DYNAMICS SIMULATIONS; SITE-DIRECTED MUTAGENESIS; COUPLED ELECTRON-TRANSFER; VALENCE-BOND MODEL; PROTON-TRANSFER
Abstract:
Even prior to the publication of the crystal structures for photosystem II (PSII), it had already been suggested that water, O-2 and H+ channels exist in PSII to achieve directed transport of these molecules, and to avoid undesirable side reactions. Computational efforts to uncover these channels and investigate their properties are still at early stages, and have so far only been based on the static PSII structure. The rationale behind the proposals for such channels and the computer modelling studies thus far are reviewed here. The need to take the dynamic protein into account is then highlighted with reference to the specific issues and techniques applicable to the simulation of each of the three channels. In particular, lessons are drawn from simulation studies on other protein systems containing similar channels.
Reprint Address:
Ho, F, Uppsala Univ, Angstrom Lab, Dept Photochem & Mol Sci, POB 523, S-75120 Uppsala, Sweden.
Research Institution addresses:
Uppsala Univ, Angstrom Lab, Dept Photochem & Mol Sci, S-75120 Uppsala, Sweden
E-mail Address:
Felix.Ho@fotomol.uu.se
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Cited Reference Count:
163
Times Cited:
0
Publisher:
SPRINGER; VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
Subject Category:
Plant Sciences
ISSN:
0166-8595
DOI:
10.1007/s11120-008-9358-2
IDS Number:
382AV
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Title:
Buckling instability of double-wall carbon nanotubes conveying fluid
Authors:
Wang, L; Ni, Q; Li, M
Author Full Names:
Wang, L.; Ni, Q.; Li, M.
Source:
COMPUTATIONAL MATERIALS SCIENCE 44 (2): 821-825 DEC 2008
Language:
English
Document Type:
Article
Author Keywords:
Double-wall; Carbon nanotube conveying fluid; Vibration; Buckling; Critical flow velocity
Keywords Plus:
VIBRATION; STORAGE; PIPES; FLOW
Abstract:
It is of fundamental value to understand the vibrations and instability of carbon nanotubes conveying fluid. In this paper, by using a multi-elastic beam model in which the intertube radial displacements and the related internal degrees of freedom are considered, the natural vibrations and buckling instability of double-wall carbon nanotubes (DWNTs) conveying fluid with simply supports at both ends are investigated. It is found that the resonant frequencies depend on the fluid flow velocity, and that buckling instability of the DWNTs occurs at a critical flow velocity. In particular, some new, interesting and sometimes unexpected results are shown and discussed. (C) 2008 Elsevier B.V. All rights reserved.
Reprint Address:
Wang, L, Huazhong Univ Sci & Technol, Dept Mech, Wuhan 430074, Peoples R China.
Research Institution addresses:
[Wang, L.; Ni, Q.] Huazhong Univ Sci & Technol, Dept Mech, Wuhan 430074, Peoples R China; [Li, M.] Wuhan Inst Technol, Sch Mech Engn, Wuhan 430074, Peoples R China
E-mail Address:
wanglinfliping@sohu.com
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Cited Reference Count:
20
Times Cited:
0
Publisher:
ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Subject Category:
Materials Science, Multidisciplinary
ISSN:
0927-0256
DOI:
10.1016/j.commatsci.2008.06.001
IDS Number:
384FW
========================================================================
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Title:
Adsorption Mechanism and Dynamic Behavior of Water and Ethanol Molecules Inside Au Nanotubes
Authors:
Wang, YC; Chen, C; Ju, SP
Author Full Names:
Wang Yao-Chun; Chen Chuan; Ju Shin-Pon
Source:
CHINESE JOURNAL OF CATALYSIS 29 (11): 1099-1106 NOV 2008
Language:
English
Document Type:
Proceedings Paper
Author Keywords:
water; ethanol; gold nanotube; molecular dynamics simulation; hydrogen bond
Keywords Plus:
CARBON NANOTUBES; FUEL-CELLS; SIMULATIONS; TEMPERATURES; SEPARATIONS; MEMBRANES; PROTEINS; SURFACES; ARRAYS; FILMS
Abstract:
Molecular dynamics simulation was used to investigate the behavior of pure water molecules, ethanol molecules, and water/ethanol mixture at various weight fractions inside An nanotubes. The radius density distributions and the probability of the number of hydrogen bonds per water and ethanol molecule were used to investigate the nano-confined effect. The results show that the radius density distributions and the number of hydrogen bonds are significantly influenced by Au nanotube and display different behavior from those at bulk environment. In addition, the interaction between water molecules and the An nanotube is stronger than that between ethanol molecules and the An nanotube, resulting in the variance in the number of hydrogen bonds per water and ethanol molecule.
Reprint Address:
Ju, SP, Sun Yat Sen Univ, Ctr Nanosci & Nanotechnol, Dept Mech & Electromech Engn, Kaohsiung 80424, Taiwan.
Research Institution addresses:
[Wang Yao-Chun; Ju Shin-Pon] Sun Yat Sen Univ, Ctr Nanosci & Nanotechnol, Dept Mech & Electromech Engn, Kaohsiung 80424, Taiwan; [Chen Chuan] Meiho Inst Technol, Dept Informat Management, Pingtung 912, Taiwan; [Chen Chuan] Cheng Kung Univ, Dept Engn Sci, Tainan 70101, Taiwan
E-mail Address:
jushin-pon@mail.nsysu.edu.tw
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22
Times Cited:
0
Publisher:
SCIENCE CHINA PRESS; 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA
Subject Category:
Chemistry, Applied; Chemistry, Physical; Engineering, Chemical
ISSN:
0253-9837
IDS Number:
385JP
========================================================================
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Title:
Molecular Simulation of Water in Carbon Nanotubes
Authors:
Alexiadis, A; Kassinos, S
Author Full Names:
Alexiadis, Alessio; Kassinos, Stavros
Source:
CHEMICAL REVIEWS 108 (12): 5014-5034 DEC 2008
Language:
English
Document Type:
Review
Keywords Plus:
LENNARD-JONES FLUIDS; DYNAMICS SIMULATION; LIQUID WATER; MECHANICAL-PROPERTIES; FORCE-FIELD; STRUCTURAL CHARACTERISTICS; STATIC PROPERTIES; ROOM-TEMPERATURE; DENSITY PROFILE; CONFINED WATER
Reprint Address:
Kassinos, S, Univ Cyprus, Dept Mech & Mfg Engn, Sci Computat Lab UCY CompSci, 75 Kallipoleos St,POB 20537, CY-1678 Nicosia, Cyprus.
Research Institution addresses:
[Alexiadis, Alessio; Kassinos, Stavros] Univ Cyprus, Dept Mech & Mfg Engn, Sci Computat Lab UCY CompSci, CY-1678 Nicosia, Cyprus
E-mail Address:
kassinos@ucy.ac.cy
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Cited Reference Count:
228
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Multidisciplinary
ISSN:
0009-2665
DOI:
10.1021/cr078140f
IDS Number:
384DB
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