Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
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AU Cannon, J
Hess, O
AF Cannon, James
Hess, Ortwin
TI Fundamental dynamics of flow through carbon nanotube membranes
SO MICROFLUIDICS AND NANOFLUIDICS
LA English
DT Article
DE Non-equilibrium molecular dynamics; Carbon nanotube; Membrane flow
ID MOLECULAR-DYNAMICS; TRANSPORT DIFFUSION; MASS-TRANSPORT; WATER;
NONEQUILIBRIUM; FLUIDS; SIMULATION; MODEL
AB The flow of a model non-polar liquid through small carbon nanotubes is
studied using non-equilibrium molecular dynamics simulation. We explain
how a membrane of small-diameter nanotubes can transport this liquid
faster than a membrane consisting of larger-diameter nanotubes. This
effect is shown to be back-pressure dependent, and the reasons for this
are explored. The flow through the very smallest nanotubes is shown to
depend strongly on the depth of the potential inside, suggesting atomic
separation can be based on carbon interaction strength as well as
physical size. Finally, we demonstrate how increasing the back-pressure
can counter-intuitively result in lower exit velocities from a
nanotube. Such studies are crucial for optimisation of nanotube
membranes.
C1 [Cannon, James; Hess, Ortwin] Univ Surrey, Adv Technol Inst, Dept Phys, Fac Engn & Phys Sci, Guildford GU2 7XH, Surrey, England.
RP Cannon, J, Univ Surrey, Adv Technol Inst, Dept Phys, Fac Engn & Phys
Sci, Guildford GU2 7XH, Surrey, England.
EM j.cannon@surrey.ac.uk
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10.1016/j.memsci.2005.06.030
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NR 28
TC 0
PU SPRINGER HEIDELBERG; TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 1613-4982
DI 10.1007/s10404-009-0446-1
PD JAN
VL 8
IS 1
BP 21
EP 31
SC Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics,
Fluids & Plasmas
GA 524WM
UT ISI:000272175100003
ER
PT J
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AU Rodriguez, J
Elola, MD
Laria, D
AF Rodriguez, Javier
Dolores Elola, M.
Laria, Daniel
TI Coaxial Cross-Diffusion through Carbon Nantoubes
SO JOURNAL OF PHYSICAL CHEMISTRY B
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; NANOTUBE MEMBRANES; LIQUID WATER;
TRANSPORT; MIXTURES; PORES; MODEL
AB We present results from nonequilibrium molecular dynamics experiments
describing the relaxation of local concentrations at two reservoirs,
initially filled with water (W) and acetonitrile (ACN), as they become
connected through a membrane composed of (16,16) carbon nanotubes.
Within the hydrophobic nanotube cavities, the equilibrium
concentrations contrast sharply to those observed at the reservoirs,
with a clear enhancement of ACN, in detriment of W. From the dynamical
side, the relaxation involves three well-differentiated stages; the
first one corresponds to the equilibration of individual concentrations
within the nanotubes. An intermediate interval with Fickian
characteristics follows, during which the overall transport can be cast
in terms of coaxial opposite fluxes, with a central water domain
segregated from an external ACN shell, in close contact with the tube
walls. We also found evidence of a third, much slower, mechanism to
reach equilibration, which involves structural modifications of tightly
bound solvation shells, in close contact with the nanotube rims.
C1 [Rodriguez, Javier; Dolores Elola, M.; Laria, Daniel] Comis Nacl Energia Atom, Dept Fis, RA-1429 Buenos Aires, DF, Argentina.
[Rodriguez, Javier] UNSAM, ECyT, RA-1650 San Martin, Buenos Aires, Argentina.
[Laria, Daniel] Univ Buenos Aires, Dept Quim Inorgan Analit & Quim Fis & INQUIMAE, Fac Ciencias Exactas & Nat, RA-1428 Buenos Aires, DF, Argentina.
RP Laria, D, Comis Nacl Energia Atom, Dept Fis, Ave Libertador 8250,
RA-1429 Buenos Aires, DF, Argentina.
EM dhlaria@cnea.gov.ar
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NR 47
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1520-6106
DI 10.1021/jp908791b
PD NOV 12
VL 113
IS 45
BP 14844
EP 14848
SC Chemistry, Physical
GA 514WY
UT ISI:000271428200002
ER
PT J
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AU Cao, BY
Sun, J
Chen, M
Guo, ZY
AF Cao, Bing-Yang
Sun, Jun
Chen, Min
Guo, Zeng-Yuan
TI Molecular Momentum Transport at Fluid-Solid Interfaces in MEMS/NEMS: A
Review
SO INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
LA English
DT Review
DE fluid-solid interfaces; molecular momentum transport; velocity slip;
boundary conditions; momentum accommodation coefficient;
micro/nanofluidics; molecular dynamics
ID SPINNING ROTOR GAUGE; HYDRODYNAMIC BOUNDARY-CONDITIONS; VELOCITY SLIP
COEFFICIENTS; GAS-SURFACE INTERACTION; LATTICE BOLTZMANN METHOD;
SIMULATION MONTE-CARLO; THIN LIQUID-FILMS; HYDROPHOBIC MICROCHANNEL
WALLS; ATOMIC-FORCE MICROSCOPE; FAST MASS-TRANSPORT
AB This review is focused on molecular momentum transport at fluid-solid
interfaces mainly related to microfluidics and nanofluidics in
micro-/nano-electromechanical systems (MEMS/NEMS). This broad subject
covers molecular dynamics behaviors, boundary conditions, molecular
momentum accommodations, theoretical and phenomenological models in
terms of gas-solid and liquid-solid interfaces affected by various
physical factors, such as fluid and solid species, surface roughness,
surface patterns, wettability, temperature, pressure, fluid viscosity
and polarity. This review offers an overview of the major achievements,
including experiments, theories and molecular dynamics simulations, in
the field with particular emphasis on the effects on microfluidics and
nanofluidics in nanoscience and nanotechnology. In Section 1 we present
a brief introduction on the backgrounds, history and concepts. Sections
2 and 3 are focused on molecular momentum transport at gas-solid and
liquid-solid interfaces, respectively. Summary and conclusions are
finally presented in Section 4.
C1 [Cao, Bing-Yang; Sun, Jun; Chen, Min; Guo, Zeng-Yuan] Tsinghua Univ, Dept Engn Mech, Key Lab Thermal Sci & Power Engn, Minist Educ, Beijing 100084, Peoples R China.
[Sun, Jun] Tsinghua Univ, Inst Nucl & New Energy Technol, Beijing 100084, Peoples R China.
RP Cao, BY, Tsinghua Univ, Dept Engn Mech, Key Lab Thermal Sci & Power
Engn, Minist Educ, Beijing 100084, Peoples R China.
EM caoby@tsinghua.edu.cn
sunjun@tsinghua.edu.cn
mchen@tsinghua.edu.cn
demgzy@tsinghua.edu.cn
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