Computational studies of gas–carbon nanotube collision dynamics

Literature Information

Publication Date 2002-08-07
DOI 10.1039/B200581F
Impact Factor 3.676
Authors

Kim Bolton, Arne Rosén


View Original

Abstract

Molecular dynamics simulations of collisions between gas particles and carbon nanotubes at elevated temperatures show that low frequency thermal vibrations of the nanotube dominate the scattering dynamics and that particle–tube energy transfer in the tube radial direction is far more efficient than that in the axial direction. The dominant role of the tube's thermal fluctuations reduces the importance of other collision parameters such as collider mass and collider–tube interaction strengths, and xenon, neon, helium and hydrogen particles all have similar collision dynamics and high scattering probabilities. At 1300 K, which is the temperature used in catalytic chemical vapour deposition single-walled nanotube growth, hydrogen molecules scatter from the tube while carbon atoms are efficiently trapped on the tube surface.

Related Literature

Self-indicating amine scavenger resins

Jin Ku Cho, Peter D. White, Wolfgang Klute, Tony W. Dean, Mark Bradley

2004-01-27 Communication

DOI: 10.1039/B315426B

Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives

A. Mateo Alonso, Roberto Horcajada, Helen J. Groombridge, Reshma Mandalia, Majid Motevalli, James H. P. Utley, Peter B. Wyatt

2004-01-20 Communication

DOI: 10.1039/B313995F

Terminally functionalized polyisobutylene oligomers as soluble supports in catalysis

David E. Bergbreiter, Jun Li

2003-11-27 Communication

DOI: 10.1039/B312368E

Preparation and structure of 2-iodoxybenzoate esters: soluble and stable periodinane oxidizing reagents

Viktor V. Zhdankin, Dmitry N. Litvinov, Alexey Y. Koposov, Thanh Luu, Michael J. Ferguson, Robert McDonald, Rik R. Tykwinski

2003-11-18 Communication

DOI: 10.1039/B312961F

Encapsulation of paramagnetic 3d1-vanadium(iv) in an antiferromagnetically coupled dodecanuclear copper(ii) cage

Arindam Mukherjee, Munirathinam Nethaji, Akhil R. Chakravarty

2003-11-04 Communication

DOI: 10.1039/B310521K

Easy access to diastereomerically pure platinacycles

Concepción López, Amparo Caubet, Sonia Pérez, Xavier Solans, Mercè Font-Bardía

2004-01-27 Communication

DOI: 10.1039/B315157C

Cooperative C–F⋯Si interaction in optically active helical polysilanes

Sun-Young Kim, Giseop Kwak, Yusuke Kawakami

2004-01-27 Communication

DOI: 10.1039/B314723A

Construction of porphyrin–cyclodextrinself-assembly with molecular wedge

Ken Sasaki, Hiroki Nakagawa, Xiaoyong Zhang, Shinichi Sakurai, Koji Kano, Yasuhisa Kuroda

2004-01-19 Communication

DOI: 10.1039/B311079F

Relative importance of hydrogen bonding and coordinating groups in modulating the zinc–water acidity

Juan C. Mareque-Rivas, Ravi Prabaharan, Rafael Torres Martín de Rosales

2003-11-04 Communication

DOI: 10.1039/B310956A

High quality CdSeS nanocrystals synthesized by facile single injection process and their electroluminescence

Eunjoo Jang, Shinae Jun, Lyongsun Pu

2003-11-07 Communication

DOI: 10.1039/B310853H

You might also like

Compound Q&A

How should waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) be handled?

Waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) ...

88634-80-42-Ethyl-4-Methyl-1H-...
Compound Q&A

What industries use Triethoxy(octyl)silane (CAS: 1385031-14-0)?

Triethoxy(octyl)silane (CAS: 1385031-14-0) is widely used in the pharmaceuticals...

1385031-14-0Triethoxy(octyl)sila...
Compound Q&A

Are there alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) in synthesis?

Several alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) exist in t...

864724-64-13-iodo-7-nitro-1H-in...
Compound Q&A

Are there alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317-71-9) in synthesis?

Yes, there are alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317...

266317-71-9Benzene, bis[(trimet...
Compound Q&A

Is Isothiazole-3-carbonitrile (CAS: 1452-17-1) safe?

Isothiazole-3-carbonitrile (CAS: 1452-17-1) is generally considered safe when us...

1452-17-1Isothiazole-3-carbon...
Compound Q&A

Is (3-Chlorophenyl)methanol (CAS: 873-63-2) safe?

(3-Chlorophenyl)methanol (CAS: 873-63-2) is considered low to moderately toxic. ...

873-63-2(3-Chlorophenyl)meth...
Compound Q&A

How is (2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)propanoic acid (CAS: 959583-98-3) typically synthesized?

(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)pr...

959583-98-3(2S,3S)-2-Hydroxy-3-...
Compound Q&A

What precautions should be taken when handling Methyl 2-(bromomethyl)-5-methoxybenzoate (CAS: 788081-99-2)?

Proper handling of methyl 2-(bromomethyl)-5-methoxybenzoate requires the use of ...

788081-99-2Methyl 2-(bromomethy...
Compound Q&A

What is 6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3)?

6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3) is an aro...

904805-36-36,8-Dibromoimidazo[1...
Compound Q&A

Is 3-Amino-5-bromo-2-pyridinecarbonitrile (CAS: 573675-27-1) safe?

3-Amino-5-bromo-2-pyridinecarbonitrile is considered safe when handled under pro...

573675-27-13-Amino-5-bromo-2-py...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.