Molecular dynamics simulations of adsorption and diffusion of gases in silicon-carbide nanotubes

Skip Nav Destination

J. Chem. Phys. 132, 014310 (2010)

This article has been cited by the following articles in journals that are participating in CrossRef Cited-by Linking.

Polyoxometalate ionic liquid between graphene oxide surfaces as a new membrane in the desalination process: a molecular dynamics study

Mohsen Abbaspour

Physical Chemistry Chemical Physics 25, 13654 (2023)

Investigating the validity of the Bosanquet equation for predicting the self-diffusivities of fluids inside nanotubes using equilibrium molecular dynamics simulations

Qu Chen
Jianping Zhou

AIP Advances (2023) 13 (2)

Performance of Silicon Carbide Nanomaterials in Separation Process

Darian Jahanshahi
Mehdi Ostadhassan
Esmail Vessally
Jafar Azamat

Separation & Purification Reviews 52, 205 (2023)

Molecular dynamics investigation of the mechanical properties and fracture behaviour of hydroxyl-functionalised carbon and silicon carbide nanotubes-reinforced polymer nanocomposites

M. Eghbalian
R. Ansari
S. Haghighi

Molecular Simulation 49, 415 (2023)

High-strength C/SiC joints prepared using a novel Ni-Si-CNTs-based filler

Anurag Kamal
Anoop Kumar Shukla
Vijay M. Shinde

Journal of the European Ceramic Society 43, 7411 (2023)

Study of adsorption of propane and propylene on CHA zeolite in different Si/Al ratios using molecular dynamics simulation

Hojatollah Moradi
Hedayat Azizpour
Mohammad Mohammadi

Powder Technology (2023) 419: 118329.

Molecular dynamics simulation of desalination process using polyoxometalate ionic liquid confined in carbon nanotubes

Mohsen Abbaspour
Majid Namayandeh Jorabchi
Hamed Akbarzadeh

Journal of Molecular Liquids (2023) 384: 122310.

Studies on transition metals (Rh, Ir, Co) doped silicon carbide nanotubes (SiCNT) for the detection and adsorption of acrolein: Insight from DFT approach

Inyang Oyo-Ita
Hitler Louis
Victory C. Nsofor
Henry O. Edet
Terkumbur E. Gber
Festus O. Ogungbemiro
Adedapo S. Adeyinka

Materials Science and Engineering: B (2023) 296: 116668.

Molecular dynamics study of phonon and thermoelectric properties of hydrogen-passivated silicon carbide nanotubes

Hojat Allah Badehian
Khadijeh Gharbavi

Vacuum (2022) 198: 110899.

Molecular Dynamics Study on Structure, Vibrational Properties, and Transport Coefficients of Liquid Alumina

Xiaolin Zhou
Yufeng Zhou
Ya Deng
Yumin Zhang

Materials 15, 8370 (2022)

Molecular dynamics simulations of phase change materials for thermal energy storage: a review

Hossein Tafrishi
Sadegh Sadeghzadeh
Rouhollah Ahmadi

RSC Advances 12, 14776 (2022)

Investigation of doped carbon nanotubes on desalination process using molecular dynamics simulations

Mohsen Abbaspour
Hamed Akbarzadeh
Majid Namayandeh Jorabchi
Sirous Salemi
Narges Ahmadi

Journal of Molecular Liquids (2022) 348: 118040.

Molecular dynamics study of mechanical properties and fracture behavior of carbon and silicon carbide nanotubes under chemical adsorption of atoms

M. Eghbalian
R. Ansari
S. Haghighi

Diamond and Related Materials (2022) 121: 108764.

Molecular dynamics simulation of carbon peapod-like nanomaterials in desalination process

Mohsen Abbaspour
Majid Namayandeh Jorabchi
Hamed Akbarzadeh
Narges Ahmadi

Desalination (2021) 504: 114975.

Mechanical properties of oxygen-functionalized silicon carbide nanotubes: A molecular dynamics study

M. Eghbalian
R. Ansari
S. Rouhi

Physica B: Condensed Matter (2021) 610: 412939.

Investigation of the thermal properties of phase change materials encapsulated in capped carbon nanotubes using molecular dynamics simulations

Mohsen Abbaspour
Majid Namayandeh Jorabchi
Hamed Akbarzadeh
Azra Ebrahimnejad

RSC Advances 11, 24594 (2021)

Effect of Surface Force on Nanoconfined Shale-Gas Flow in Slit Channels

Yanling Gao
Keliu Wu
Zhangxin Chen
Jing Li
Qian Li
Xiaohu Dong
Weibing Tian
Yishan Liu
Qingyuan Zhu
Jianfei Bi

SPE Journal 26, 448 (2021)

Universal Intrinsic Dynamics and Freezing of Water in Small Nanotubes

José Cobeña-Reyes
Muhammad Sahimi

The Journal of Physical Chemistry C 125, 946 (2021)

Gases of driving methane out of a carbon nanotube

Xianwen Meng
Ling Shen

Journal of Physics Communications 4, 015003 (2020)

Monte Carlo Simulations of SO2, H2S, and CO2 Adsorption in Charged Single-Walled Carbon Nanotube Arrays

Yong-Biao Yang
Qiang Hao
Florian Müller-Plathe
Michael C. Böhm

The Journal of Physical Chemistry C 124, 5838 (2020)

Surface energy, relative stability, and structural properties of Au-Pt, Au-Rh, Au-Cu, and Au-Pd nanoclusters created in inert-gas condensation process using MD simulation

Zahra Valizadeh
Mohsen Abbaspour

Journal of Physics and Chemistry of Solids (2020) 144: 109480.

Thermodynamics, Structure, and Dynamic Properties of Nanostructured Water Confined into B-, N-, and Si-Doped Graphene Surfaces and Carbon Nanotubes

Mohsen Abbaspour
Hamed Akbarzadeh
Shadi Zaeifi

Industrial & Engineering Chemistry Research 59, 9642 (2020)

Rheology of water in small nanotubes

Jose Cobeña-Reyes
M. Sahimi

Physical Review E (2020) 102 (2)

Investigation of temperature and pressure effects on thermodynamics and structural properties of gold nanoparticles formed during the gas condensation procedure

Samira Lotfi
Mohsen Abbaspour

Journal of Molecular Liquids (2019) 281: 39.

Improvement of hydrogen storage capacity on the palladium-decorated N-doped graphene sheets as a novel adsorbent: A hybrid MD-GCMC simulation study

Fatemeh Bakhshi
Nafiseh Farhadian

International Journal of Hydrogen Energy 44, 13655 (2019)

Nucleation, coalescence, thermal evolution, and statistical probability of formation of Au/Ir/Pd nanoalloys in gas-phase condensation process

Mohsen Abbaspour
Zahra Valizadeh
Majid Namayandeh Jorabchi

Journal of Molecular Liquids (2019) 274: 434.

Hydrogen adsorption capacity of vanadium oxide nanotube from pure and mixture gas environment through molecular simulation

A. Salimian
S. Ketabi
H. R. Aghabozorg

Separation Science and Technology 53, 1 (2018)

Au–Ir nanoalloy nucleation during the gas-phase condensation: a comprehensive MD study including different effects

Mohsen Abbaspour
Hamed Akbarzadeh
Zahra Valizadeh

Inorganic Chemistry Frontiers 5, 1445 (2018)

Silicon atom and silicon oxide molecule, within the metallic and semiconducting carbon nanotubes as promising centers candidates for hydrogen adsorption: A DFT theoretical study

S. Vahid Hosseini
Hadi Arabi
Ahmad Kompany

International Journal of Hydrogen Energy 43, 18306 (2018)

Hydrogen storage comparison of M doped vanadium oxide nanotubes (M = Mo, Zr and W): A molecular simulation study

A. Salimian
S. Ketabi
H.R. Aghabozorg

International Journal of Hydrogen Energy 43, 2831 (2018)

Competitive adsorption and diffusion of CH4/CO2 binary mixture within shale organic nanochannels

Bing Liu
Chao Qi
Tingyi Mai
Jun Zhang
Kaiyun Zhan
Zhiliang Zhang
Jianying He

Journal of Natural Gas Science and Engineering (2018) 53: 329.

Selective gas diffusion in two-dimensional MXene lamellar membranes: insights from molecular dynamics simulations

Libo Li
Tao Zhang
Yifan Duan
Yanying Wei
Chaojie Dong
Li Ding
Zhiwei Qiao
Haihui Wang

Journal of Materials Chemistry A 6, 11734 (2018)

Delivery of Cisplatin Anti-Cancer Drug from Carbon, Boron Nitride, and Silicon Carbide Nanotubes Forced by Ag-Nanowire: A Comprehensive Molecular Dynamics Study

Esmat Mehrjouei
Hamed Akbarzadeh
Amir Nasser Shamkhali
Mohsen Abbaspour
Sirous Salemi
Pooya Abdi

Molecular Pharmaceutics 14, 2273 (2017)

Connection Between Thermodynamics and Dynamics of Simple Fluids in Pores: Impact of Fluid–Fluid Interaction Range and Fluid–Solid Interaction Strength

William P. Krekelberg
Daniel W. Siderius
Vincent K. Shen
Thomas M. Truskett
Jeffrey R. Errington

The Journal of Physical Chemistry C 121, 16316 (2017)

A comprehensive molecular dynamics investigation on confinement of Pt Cu nanocluster inside carbon nanotubes

Hamed Akbarzadeh
Amir Nasser Shamkhali
Mohsen Abbaspour
Sirous Salemi
Zeinab Attaran

Colloids and Surfaces A: Physicochemical and Engineering Aspects (2017) 522: 433.

Structural evolution of Pt/Pd nanoparticles in condensation process

Hamed Akbarzadeh
Mohsen Abbaspour
Esmat Mehrjouei
Azizeh Masoumi

Journal of Molecular Liquids (2017) 248: 822.

Improvement of methane uptake inside graphene sheets using nitrogen, boron and lithium-doped structures: A hybrid molecular simulation

Atieh Hassani
Mohammad Taghi Hamed Mosavian
Ali Ahmadpour
Nafiseh Farhadian

Korean Journal of Chemical Engineering 34, 876 (2017)

Kinetics formation of bimetallic nanoalloys at different simulation times

Hamed Akbarzadeh
Farid Taherkhani
Esmat Mehrjouei
Azizeh Masoumi

Journal of Molecular Liquids (2017) 240: 468.

Adsorption of sulfur dioxide and mixtures with nitrogen at carbon nanotubes and graphene: molecular dynamics simulation and gravimetric adsorption experiments

Frank G. Kühl
Timur J. Kazdal
Sebastian Lang
Manfred J. Hampe

Adsorption 23, 293 (2017)

Molecular Dynamics Simulations on the Behaviors of Hydrophilic/Hydrophobic Cyclic Peptide Nanotubes at the Water/Hexane Interface

Huifang Lin
Jianfen Fan
Peipei Weng
Xialan Si
Xin Zhao

The Journal of Physical Chemistry A 121, 6863 (2017)

Improvement of methane storage in nitrogen, boron and lithium doped pillared graphene: A hybrid molecular simulation

Atieh Hassani
Mohammad Taghi Hamed Mosavian
Ali Ahmadpour
Nafiseh Farhadian

Journal of Natural Gas Science and Engineering (2017) 46: 265.

Modeling the effects of material chemistry on water flow enhancement in nanotube membranes

Francesco Calabrò

MRS Bulletin 42, 289 (2017)

Ag–Au bimetallic nanoclusters formed from a homogeneous gas phase: a new thermodynamic expression confirmed by molecular dynamics simulation

H. Akbarzadeh
A. N. Shamkhali
E. Mehrjouei

Physical Chemistry Chemical Physics 19, 3763 (2017)

Beryllium-doped single-walled carbon nanotubes with Stone-Wales defects: A promising material to store hydrogen at room temperature

Sarbani Ghosh
Venkat Padmanabhan

International Journal of Hydrogen Energy 42, 24237 (2017)

Position-Dependent Dynamics Explain Pore-Averaged Diffusion in Strongly Attractive Adsorptive Systems

William P. Krekelberg
Daniel W. Siderius
Vincent K. Shen
Thomas M. Truskett
Jeffrey R. Errington

Langmuir 33, 13955 (2017)

Flow behavior of gas confined in nanoporous shale at high pressure: Real gas effect

Keliu Wu
Zhangxin Chen
Xiangfang Li
Jinze Xu
Jing Li
Kun Wang
Heng Wang
Shuhua Wang
Xiaohu Dong

Fuel (2017) 205: 173.

Separation based adsorption of ethanol–water mixture in azeotropic solution by single–walled carbon, boron-nitride and silicon-carbide nanotubes

Siavash Taheri
Muhammad Shadman Lakmehsari
Azim Soltanabadi

Journal of Molecular Graphics and Modelling (2017) 75: 149.

Temperature-dependence of wetting properties of carbon nanotubes

Fatemeh Ebrahimi
Melika Gholamian Moghaddam

Physica A: Statistical Mechanics and its Applications (2016) 453: 271.

Propene adsorption on gold–palladium nanoalloys supported on bundle nanotubes

Hamed Akbarzadeh
Mohsen Abbaspour
Elham Khomarian

RSC Advances 6, 66275 (2016)

Static and dynamic properties of supercooled water in small nanotubes

Mahdi Khademi
Muhammad Sahimi

The Journal of Chemical Physics (2016) 145 (2)

Molecular dynamics simulations of adsorption and diffusion of gases in silicon-carbide nanotubes

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

Molecular dynamics simulations of adsorption and diffusion of gases in silicon-carbide nanotubes

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

This Feature Is Available To Subscribers Only