Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
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AU Hanasaki, I
Yonebayashi, T
Kawano, S
AF Hanasaki, Itsuo
Yonebayashi, Toru
Kawano, Satoyuki
TI Molecular dynamics of a water jet from a carbon nanotube
SO PHYSICAL REVIEW E
LA English
DT Article
DE carbon nanotubes; flow simulation; jets; molecular dynamics method;
nanofluidics; nozzles; pipe flow; water
ID NANOJET; SIMULATIONS; CONDUCTION; CURVATURE; DROPLETS; DIAMETER;
RUPTURE; MODEL; FLOW
AB A carbon nanotube (CNT) can be viewed as a molecular nozzle. It has a
cylindrical shape of atomistic regularity, and the diameter can be even
less than 1 nm. We have conducted molecular-dynamics simulations of
water jet from a (6,6) CNT that confines water in a form of single-file
molecular chain. The results show that the water forms nanoscale
clusters at the outlet and they are released intermittently. The jet
breakup is dominated by the thermal fluctuations, which leads to the
strong dependence on the temperature. The cluster size n decreases and
the release frequency f increases at higher temperatures. The f roughly
follows the reaction kinetics by the transition state theory. The speed
of a cluster is proportional to the 1/root n because of the central
limit theorem. These properties make great contrast with the
macroscopic liquid jets.
C1 [Hanasaki, Itsuo; Yonebayashi, Toru; Kawano, Satoyuki] Osaka Univ, Grad Sch Engn Sci, Dept Mech Sci & Bioengn, Osaka 5608531, Japan.
RP Hanasaki, I, Osaka Univ, Grad Sch Engn Sci, Dept Mech Sci & Bioengn,
Machikaneyama Cho 1-3, Osaka 5608531, Japan.
EM hanasaki@me.es.osaka-u.ac.jp
kawano@me.es.osaka-u.ac.jp
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NR 40
TC 0
PU AMER PHYSICAL SOC; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 1539-3755
DI 10.1103/PhysRevE.79.046307
PD APR
VL 79
IS 4
PN Part 2
AR 046307
SC Physics, Fluids & Plasmas; Physics, Mathematical
GA 443WL
UT ISI:000265941400049
ER
PT J
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AU Zhang, LL
Park, IS
Shqau, K
Ho, WSW
Verweij, H
AF Zhang, Lanlin
Park, In-Soo
Shqau, Krenar
Ho, W. S. Winston
Verweij, Henk
TI Supported Inorganic Membranes: Promises and Challenges
SO JOM
LA English
DT Article
ID GAMMA-ALUMINA MEMBRANES; FAST MASS-TRANSPORT; HYDROGEN SEPARATION;
CERAMIC MEMBRANE; MICROPOROUS SILICA; ZEOLITE MEMBRANES; THIN-FILMS;
PERMEATION; GAS; PERMEABILITY
AB Supported inorganic membranes hold the promise of highly effective
separation and purification, and stable operation in harsh
environments. Examples are thin films of paladium alloy for H-2, mixed
conducting oxides for O-2, amorphous silica for CO2 and zeolites for
hydro-carbons, and meso-porous titania for water purification. How
ever, compared to organic membranes, large-scale production of
inorganic membranes requires improvements in reproducibility and cost
processes. This short overview provides terminology, concepts, and
important criteria for performance, stability, reproducibility, and
cost of supported inorganic membranes. Also discussed are possible
approaches to address the challenges, and examples for designing gas
separation and water purification.
C1 [Zhang, Lanlin; Park, In-Soo; Shqau, Krenar; Verweij, Henk] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA.
[Ho, W. S. Winston] Ohio State Univ, Dept Chem & Biomol Engn, Columbus, OH 43210 USA.
RP Zhang, LL, Ohio State Univ, Dept Mat Sci & Engn, 116 W 19Th Ave,
Columbus, OH 43210 USA.
EM Verweij@matsceng.ohio-state.edu
CR IND STAT STAT HIGHLI
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NR 57
TC 0
PU SPRINGER; 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1047-4838
PD APR
VL 61
IS 4
BP 61
EP 71
SC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
GA 445GK
UT ISI:000266038200011
ER
PT J
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AU Huang, P
Schwegler, E
Galli, G
AF Huang, Patrick
Schwegler, Eric
Galli, Giulia
TI Water Confined in Carbon Nanotubes: Magnetic Response and Proton
Chemical Shieldings
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID 1ST PRINCIPLES SIMULATIONS; DENSITY-FUNCTIONAL THEORY; LIQUID WATER;
AB-INITIO; NMR; SHIFTS; ACCURACY
AB We study the proton nuclear magnetic resonance of a model system
consisting of liquid water confined in carbon nanotubes (CNTs).
Chemical shieldings are evaluated from linear response theory, where
the electronic structure is derived from density functional theory with
plane-wave basis sets and periodic boundary conditions. The shieldings
are sampled from trajectories generated via first-principles molecular
dynamics simulations at ambient conditions for water confined in (14,0)
and (19,0) CNTs with diameters d = 11 and 14.9 angstrom, respectively.
We find that confinement within the CNT leads to a large (ca. -23 ppm)
upfield shift relative to bulk liquid water. This shift is a
consequence of strongly anisotropic magnetic fields induced in the CNT
by an applied magnetic field.
C1 [Huang, Patrick; Schwegler, Eric] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA.
[Galli, Giulia] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.
RP Huang, P, Lawrence Livermore Natl Lab, Phys & Life Sci Directorate,
7000 E Ave, Livermore, CA 94551 USA.
EM huang26@llnl.gov
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NR 29
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
DI 10.1021/jp811060y
PD MAY 21
VL 113
IS 20
BP 8696
EP 8700
SC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
GA 446AY
UT ISI:000266093800025
ER
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AU Bernardo, P
Drioli, E
Golemme, G
AF Bernardo, P.
Drioli, E.
Golemme, G.
TI Membrane Gas Separation: A Review/State of the Art
SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
LA English
DT Review
ID MIXED-MATRIX MEMBRANES; MOLECULAR-SIEVE MEMBRANES; CARBON NANOTUBE
MEMBRANES; HOLLOW-FIBER MEMBRANES; INTRINSIC MICROPOROSITY PIMS;
POLYMER-CHAIN RIGIDIFICATION; FACILITATED OLEFIN TRANSPORT;
PORE-PLUGGING SYNTHESIS; MFI-ALUMINA MEMBRANES; FAST MASS-TRANSPORT
AB In the last years membrane processes for gas separation are gaining a
larger acceptance in industry and in the market are competing with
consolidated operations such as pressure swing absorption and cryogenic
distillation. The key for new applications of membranes in challenging
and harsh environments (e.g., petrochemistry) is the development of new
tough, high performance materials. The modular nature of membrane
operations is intrinsically fit for process intensification, and this
versatility might be a decisive factor to impose membrane processes in
most gas separation fields, in a similar way as today membranes
represent the main technology for water treatment. This review
highlights the most promising areas of research in gas separation, by
considering the materials for membranes, the industrial applications of
membrane gas separations, and finally the opportunities for the
integration of membrane gas separation units in hybrid systems for the
intensification of processes.
C1 [Bernardo, P.; Drioli, E.; Golemme, G.] Univ Calabria, ITM, CNR, I-87030 Arcavacata Di Rende, Italy.
[Drioli, E.; Golemme, G.] Univ Calabria, Dept Chem Engn & Mat, I-87036 Arcavacata Di Rende, Italy.
[Drioli, E.; Golemme, G.] Univ Calabria, INSTM Consortium, I-87036 Arcavacata Di Rende, Italy.
RP Drioli, E, Univ Calabria, ITM, CNR, Via Pietro Bucci,Cubo 17-C, I-87030
Arcavacata Di Rende, Italy.
EM e.drioli@itm.cnr.it
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NR 271
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0888-5885
DI 10.1021/ie8019032
PD MAY 20
VL 48
IS 10
BP 4638
EP 4663
SC Engineering, Chemical
GA 445WD
UT ISI:000266081300002
ER
EF
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