Computational studies of gas–carbon nanotube collision dynamics
Literature Information
Kim Bolton, Arne Rosén
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.
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Physical Chemistry Chemical Physics

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.










![L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI) structure L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI) structure](https://static.chemtradehub.com/structs/177/177943-89-4-6312.webp)


![4-(4-{4-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidine 4-methylbenzenesulfonate (1:1) structure 4-(4-{4-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidine 4-methylbenzenesulfonate (1:1) structure](https://static.chemtradehub.com/structs/108/1082949-68-5-00b6.webp)
