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| *Record 1 of 2. *Click Here to View Full Record *Order Full Text [ ] |
| Title: Study of Solid Wall-Liquid Interaction on Pressure-Driven Liquid Transport Through a Nanopore in a Membrane |
| Authors: |
| Author Full Names: Huang, Cunkui; Choi, Phillip Y. K.; Nandakurnar, K.; Kostiuk, Larry W. |
| Source: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 9 (2): 793-798 Sp. Iss. SI FEB 2009 |
| Language: English |
| Document Type: Proceedings Paper |
| Author Keywords: Molecular Dynamics Simulation; Solid Wall-Liquid Interaction; Pressure-Driven Flow; Membrane; Nanopore |
| KeyWords Plus: MOLECULAR-DYNAMICS SIMULATIONS; BOUNDARY-CONDITIONS; FLOW; WATER; MIXTURES; SURFACES |
| Abstract: The effect of pore wall-liquid interaction on the liquid transport through a nanopore in a membrane was studied by an improved pressure-driven non-equilibrium molecular dynamics (NEMD) method. The NEMD results showed that pressures in the reservoirs were constant and were equal to the pressures externally exerted on the self-adjusting plates that drove the flow; pressures in the nanopore decreased monotonically in the stream-wise direction when the solid wall-liquid had weak or neutral interaction, but exhibited a different distribution pattern in the case of the solid wall-liquid exhibiting strong attractive interaction. The transport ability of the nanopore depended significantly on the pore wall-liquid interaction. |
| Reprint Address: Choi, PYK, Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 2G6, Canada. |
| Research Institution addresses: [Choi, Phillip Y. K.; Nandakurnar, K.] Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 2G6, Canada; [Huang, Cunkui; Kostiuk, Larry W.] Univ Alberta, Dept Mech Engn, Edmonton, AB T6G 2G8, Canada |
| Cited References: BITSANIS I, 1987, J CHEM PHYS, V87, P1733. BITSANIS I, 1988, J CHEM PHYS, V89, P781. CIEPLAK M, 2000, PHYSICA A, V287, P153. CIEPLAK M, 2001, PHYS REV LETT, V86, P803. CRACKNELL RF, 1995, PHYS REV LETT, V74, P2463. DZUBIELLA J, 2004, J CHEM PHYS, V120, P5001, DOI 10.1063/1.1665656. FIROUZI M, 2004, J CHEM PHYS, V120, P8172, DOI 10.1063/1.1688313. HENRICKSON SE, 2000, PHYS REV LETT, V85, P3057. HUANG CK, 2006, J CHEM PHYS, V124, P34701. IRVING JH, 1950, J CHEM PHYS, V18, P817. JABBARZADEH A, 1997, J NON-NEWTON FLUID, V69, P169. KARNIADAKIS GE, 2002, MICRO FLOWS FUNDAMEN. KOPLIK J, 1989, PHYS FLUIDS A-FLUID, V1, P781. LISAL M, 2004, J CHEM PHYS, V121, P4901, DOI 10.1063/1.1782031. MARZIO EA, 2002, J CHEM PHYS, V117, P4063. THOMPSON PA, 1990, PHYS REV A, V40, P6830. THOMPSON PA, 1997, NATURE, V389, P360. TRAVIS KP, 2000, J CHEM PHYS, V112, P1984. XU LF, 1998, PHYS REV LETT, V80, P3511. ZHANG QX, 2002, J CHEM PHYS, V117, P808. ZHU FQ, 2002, BIOPHYS J, V83, P154. |
| Cited Reference Count: 21 |
| Times Cited: 0 |
| Publisher: AMER SCIENTIFIC PUBLISHERS; 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA |
| Subject Category: Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter |
| ISSN: 1533-4880 |
| DOI: 10.1166/jnn.2009.C026 |
| IDS Number: 411MI |
| *Record 2 of 2. *Click Here to View Full Record *Order Full Text [ ] |
| Title: Molecular Dynamics Studies of the Flow Properties of Liquids in Nanochannel |
| Authors: |
| Author Full Names: Jia, Yan; Liu, Heng; Yu, Lie |
| Source: 2008 IEEE INTERNATIONAL CONFERENCE ON AUTOMATION AND LOGISTICS, VOLS 1-6 : 2546-2549 2008 |
| Language: English |
| Document Type: Proceedings Paper |
| Author Keywords: molecular dynamics; cooling degree; rate of velocity slip; order structures |
| KeyWords Plus: BOUNDARY-CONDITIONS |
| Abstract: The method of molecular dynamics is used to study the flow properties of liquids in the different cooling degree. The model system is composed of two parallel solid walls and confined fluid molecules. The distribution of velocities, densities and temperatures are obtained at five different cooling degrees. The simulation results show that the velocity distributions are different at different cooling degrees, even if at the same shear speed. The slip and the no-slip are all possible to take place to adjacent to solid wall for the different cooling degrees. At the same time, the ratio slips decrease as the cooling degrees increase. The average temperature of liquids decrease and the nonuniform density profiles and order structure increase with the increasing of cooling degrees. Note indirectly that the different temperature could cause the different density profiles and order structure. |
| Reprint Address: Jia, Y, Xi An Jiao Tong Univ, Inst Mechatron & Informat Syst, 28 Xianning W Rd, Xian 710049, Peoples R China. |
| Research Institution addresses: [Jia, Yan; Liu, Heng; Yu, Lie] Xi An Jiao Tong Univ, Inst Mechatron & Informat Syst, Xian 710049, Peoples R China |
| Cited References: ASHURST WT, 1975, PHYS REV A, V11, P658. BITSANIS I, 1987, J CHEM PHYS, V87, P1733. CIEPLAK M, 2001, PHYS REV LETT, V86, P803. MAGE JJ, 1985, J CHEM PHYS, V83, P1888. RAHMAN A, 1964, PHYS REV A, V136, P405. RAPAPORT DC, 2004, ART MOL DYNAMICS SIM. THOMPSON PA, 1990, PHYS REV A, V40, P6830. THOMPSON PA, 1997, NATURE, V389, P360. WANG H, 2001, SCI CHINA SER A, V44, P1049. |
| Cited Reference Count: 9 |
| Times Cited: 0 |
| Publisher: IEEE; 345 E 47TH ST, NEW YORK, NY 10017 USA |
| IDS Number: BIX25 |
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