Molecular dynamics study of methane in water: diffusion and structure

QR Code

Molecular dynamics study of methane in water: diffusion and structure

We present molecular dynamics simulation results for the diffusion coefficients and structure of water-methane mixtures in constant NPT ensembles, at T 270, 300K and P 8.104 107 Pa. The systems we have studied consist of one, four and eight CH4 molecules and varying H2O molecules per unit cell, w...

Full description

Bibliographic Details
Main Authors:	Zhang, J., Piana, Stefano, Freij-Ayoub. R., Rivero, M., Choi, S.
Format:	Journal Article
Published:	Taylor & Francis Ltd 2006
Subjects:	Hydrogen bond Methane concentration Methane hydrate Molecular dynamics simulation
Online Access:	http://www.informaworld.com/openurl?genre=article&id=doi:10.1080/08927020601039598 http://hdl.handle.net/20.500.11937/33880

Similar Items

Reversible methane storage in porous hydrogel supported clathrates
by: Ding, Ailin, et al.
Published: (2013)

Application of the shrinking-core model to the kinetics of repeated formation of methane hydrates in a system of mixed dry-water and porous hydrogel particulates
by: Shi, B., et al.
Published: (2014)

Enhancement of hydrogen and methane production from co-digestion of food waste and chicken manure
by: Mat Saad, Mohd Faiz
Published: (2017)

Rapid and high capacity methane storage in clathrate hydrates using surfactant dry solution
by: Fan, S., et al.
Published: (2014)

Turning down the gas: what is the potential for microbial detection of methane leakage from soils?
by: Bott, Tom
Published: (2022)

Impact of moisture on estimating gas in place for shales: characterisation and simulation studies on kerogens
by: Li, Wei
Published: (2022)

Influence of Soil Properties on Methane Production Potential from Wetland Rice Field in Java
by: Setyanto, Prihasto
Published: (2000)

Catalytic conversion of methane at low temperatures: a critical review
by: Chen, Yipei, et al.
Published: (2019)

Prediction of enteric methane production, yield and intensity in dairy cattle using an intercontinental database
by: Niu, Mutian, et al.
Published: (2018)

Enhancement of dry reforming of methane for syngas production over M/Mg1-XM’xO catalysts (M=Ni, Pd, and Pt., M’=Ce3+, Ce4+, and Ni2+)
by: Jassim Aldoghachi, Faris Abdulridha
Published: (2016)

Bio-conversion of methane to liquid transportation fuel using methanotrophic bacteria
by: Stead, Christopher Edward
Published: (2019)

Influence of water invasion on methane adsorption behavior in coal
by: Wang, Zhaofeng, et al.
Published: (2018)

Enhancement of methane production from palm oil mill effluent through co-digestion and bio-augmentation treatment
by: Mohd Yaakob, Nurliyana
Published: (2016)

Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks
by: Moreau, Florian, et al.
Published: (2017)

Characterization and Adsorption Studies of Carbon Nanotubes / Nanofibers for Methane Storage
by: Mohamed Danna, Abdulhamid Belal
Published: (2004)

Enhancement of methane production from anaerobic digestion of grease trap waste
by: Rasit, Nazaitulshila
Published: (2016)

Structural optimization of molecular clusters with density functional theory combined with basin hopping
by: Do, Hainam, et al.
Published: (2012)

A feasibility study of methane reforming by partial oxidation.
by: Zhu, Jian N.
Published: (2001)

Preparation and evaluation of Ni/CeOշ-SiOշ catalyst for dry reforming of methane with carbon dioxide in syngas production
by: Achmad Solichin, Sudarno
Published: (2012)

The comparative and combined effects of nitric oxide and higher alkanes in sensitizing methane oxidation
by: Chan, Y.L., et al.
Published: (2012)

Autonomous flight algorithm of a quadcopter sensing system for methane gas concentration measurements at landfill site
by: Bashi, Omar Ibrahim Dallal
Published: (2018)

Methane adsorption in metal-organic frameworks containing nanographene linkers: a computational study
by: Bichoutskaia, E., et al.
Published: (2014)

Development of highly efficient nickel-doped zeolitic imidazole framework (ZIF-67) based catalyst for methanation reaction
by: Aldoghachi, Ali Faris Abdulridha
Published: (2023)

Isolation, characterisation and development of genetic tools for methane-oxidising bacteria
by: Rumah, Bashir Lawal
Published: (2019)

Molecular dynamics simulations using graphics processing units
by: Baker, J.A., et al.
Published: (2011)

NMR Studies of Nucleic Acids as Drug Targets
by: Gallagher, Cathal T
Published: (2004)

A study of optimisation methods applied to methane recovery and mine ventilation systems
by: Moll, A.T.J.
Published: (1993)

Molecular docking and molecular dynamic simulation of 1,3-Benzoxazine derivatives against penicillin binding protein 2A of methicillin-resistant Staphlyococcus aureus
by: Alharbi, Nourah Jamaan H
Published: (2023)

Modelling the effect of diet composition on enteric methane emissions across sheep, beef cattle and dairy cows
by: Bell, Matthew J., et al.
Published: (2016)

Methane emissions among individual dairy cows during milking quantified by eructation peaks or ratio with carbon dioxide
by: Bell, Matthew J., et al.
Published: (2014)

Horizontal and vertical emissions of methane from a drained tropical peat soil cultivated with Pineapple (Ananas comosus (L.) Merr.)
by: Jeffary, A. V., et al.
Published: (2016)

Effects of fungal treatment on rice straw digestibility and rumen methane mitigation
by: Pauzi, Mohd Azlan
Published: (2015)

An NMR relaxometry study of heteronuclear effects upon proton transfer in hydrogen bonds
by: Frantsuzov, Ilya
Published: (2010)

CO2 hydrate properties and applications: A state of the art
by: Sinehbaghizadeh, Saeid, et al.
Published: (2022)

A novel bismuth-based metal-organic framework for high volumetric methane and carbon dioxide adsorption
by: Savage, Mathew, et al.
Published: (2014)

Determination of the absolute accuracy of UK chamber facilities used in measuring methane emissions from livestock
by: Gardiner, T.D., et al.
Published: (2015)

Methane Emission and its Mitigation in Rice Fields Under Different Management Practices in Central Java
by: Setyanto, Prihasto
Published: (2004)

Mengoptimumkan sistem anaerobik pada Reaktor Anaerobik Sesekat (ABR) untuk menghasilkan biogas dari sisa organik menggunakan perisian SuperPro Designer® / Zulhafizal Othman et al.
by: Othman, Zulhafizal, et al.
Published: (2011)

A statistical analysis of monitored data for methane prediction
by: Dixon, Darron William
Published: (1992)

Microbial community in a sediment-hosted CO2 lake of the southern Okinawa Trough hydrothermal system
by: Inagaki, F., et al.
Published: (2006)

Cannot write session to /tmp/vufind_sessions/sess_5lgk8sbssda7ddn5gpalb0tgkl