The melting kinetics of gas hydrate with different cage occupancy and empty cage distribution

Article Energy & Fuels

Instrumental Methods for Cage Occupancy Estimation of Gas Hydrate

Wenjiu Cai et al.

Summary: This review introduces the research methods and various instrument analysis techniques for gas hydrate cage occupancy, and discusses the importance of gas hydrates in resource estimation, energy storage, and carbon sequestration.

ENERGIES (2022)

添加到收藏夹

Review Chemistry, Physical

A review of clathrate hydrate nucleation, growth and decomposition studied using molecular dynamics simulation

Subhadip Das et al.

Summary: This article reviews the existing theories on nucleation and growth of gas hydrates, discusses the factors affecting decomposition, and explores the analysis techniques used to quantify such mechanisms. Molecular Dynamics simulations play a significant role in understanding these processes.

JOURNAL OF MOLECULAR LIQUIDS (2022)

添加到收藏夹

Article Chemistry, Physical

Effect of Cage Occupancy on Stability and Decomposition of Methane Hydrate

Dilare Kainai et al.

Summary: This study found that the stability of gas hydrates is affected by the occupancy, types, and distribution of empty cages. A decrease in overall occupancy leads to worse stability, while a more concentrated distribution of empty cages results in faster decomposition. The distribution of empty cages plays a controlling role in the decomposition kinetics of hydrates at different stages.

JOURNAL OF PHYSICAL CHEMISTRY B (2022)

添加到收藏夹

Article Chemistry, Physical

Exploring tuning phenomena of THF-H2 hydrates via molecular dynamics simulations

Dong Woo Kang et al.

Summary: This work investigated tuning phenomena in THF-H-2 hydrates through all-atomic molecular dynamics simulations, revealing that the occupancy of H-2 in different cages varies with THF concentration, enhancing the uptake of H-2 through tuning phenomena.

JOURNAL OF MOLECULAR LIQUIDS (2022)

添加到收藏夹

Article Chemistry, Physical

A molecular dynamic simulation on the memory effect of methane hydrate

Xin Zheng et al.

Summary: In this study, a simulation was conducted to trace the evolution of residual hydrate cages during hydrate recrystallization. The study revealed the three steps of hydrate dissociation and their different decomposition rates, as well as the influence of the critical nucleus size on the memory effect.

JOURNAL OF MOLECULAR LIQUIDS (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Hydrogen Inter-Cage Hopping and Cage Occupancies inside Hydrogen Hydrate: Molecular-Dynamics Analysis

Yogeshwaran Krishnan et al.

Summary: A classical molecular dynamics simulation was used to study the inter-cage hopping in a type II clathrate hydrate with different numbers of H-2 and D-2 molecules. The results showed that structures with double and triple large-cage H-2 occupancy appeared to be the most stable.

APPLIED SCIENCES-BASEL (2021)

添加到收藏夹

Article Chemistry, Physical

Molecular dynamics of fluoromethane type I hydrates

Angel M. Fernandez-Fernandez et al.

Summary: This study investigated the properties of fluorinated methane and its hydrates through atomistic molecular dynamics simulations, refining molecular models to compare with experimental results. The three-phase equilibrium of fluorinated methane hydrates was found to be challenging based on the simulation and experimental data comparison.

JOURNAL OF MOLECULAR LIQUIDS (2021)

添加到收藏夹

Article Chemistry, Physical

Stability and dissociation studies of CO2 hydrate under different systems using molecular dynamic simulations

Lijun Jiao et al.

Summary: This study utilized molecular dynamic simulations to monitor the stability and dissociation of CO2 hydrate under different simulation conditions, revealing the significant role of water-water and water-guest interactions in stability. The decomposition phenomenon and rate were described, along with the comparison of dissociation rates between different interfaces. The results showed that the difference in dissociation rates initially increased and then decreased due to mass transfer resistance.

JOURNAL OF MOLECULAR LIQUIDS (2021)

添加到收藏夹

Article Chemistry, Physical

Cage occupancies, lattice constants, and guest chemical potentials for structure II hydrogen clathrate hydrate from Gibbs ensemble Monte Carlo simulations

Paul E. Brumby et al.

JOURNAL OF CHEMICAL PHYSICS (2019)

添加到收藏夹

Article Thermodynamics

Methane clathrate hydrate dissociation analyzed with Raman spectroscopy and a thermodynamic mass transfer model considering cage occupancy

Hiroyuki Komatsu et al.

FLUID PHASE EQUILIBRIA (2019)

添加到收藏夹

Article Thermodynamics

Thermodynamic phase equilibria and cage occupancy of NF3 hydrate

Eunae Kim et al.

FLUID PHASE EQUILIBRIA (2018)

添加到收藏夹

Article Energy & Fuels

Exploring the effect of important parameters on decomposition of gas hydrate structure I: A molecular dynamics simulation study

Mohammad Fani Kheshty et al.

JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING (2018)

添加到收藏夹

Article Energy & Fuels

Effect of cage-specific occupancy on the dissociation rate of a three-phase coexistence methane hydrate system: A molecular dynamics simulation study

Zhixue Sun et al.

JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING (2018)

添加到收藏夹

Article Chemistry, Physical

On the phase behaviors of hydrocarbon and noble gas clathrate hydrates: Dissociation pressures, phase diagram, occupancies, and equilibrium with aqueous solution

Hideki Tanaka et al.

JOURNAL OF CHEMICAL PHYSICS (2018)

添加到收藏夹

Article Energy & Fuels

Cage Occupancy and Stability of N2O-Encaged Structure I and II Clathrate Hydrates

Youjeong Yang et al.

ENERGY & FUELS (2016)

添加到收藏夹

Article Thermodynamics

Cage occupancy of methane hydrates from Gibbs ensemble Monte Carlo simulations

Paul E. Brumby et al.

FLUID PHASE EQUILIBRIA (2016)

添加到收藏夹

Article Chemistry, Physical

Formation of methane nano-bubbles during hydrate decomposition and their effect on hydrate growth

S. Alireza Bagherzadeh et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

添加到收藏夹

Article Multidisciplinary Sciences

Origin of Self-preservation Effect for Hydrate Decomposition: Coupling of Mass and Heat Transfer Resistances

Dongsheng Bai et al.

SCIENTIFIC REPORTS (2015)

添加到收藏夹

Review Green & Sustainable Science & Technology

The status of natural gas hydrate research in China: A review

Yongchen Song et al.

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2014)

添加到收藏夹

Article Engineering, Chemical

Quantitative analysis of gas hydrates using Raman spectroscopy

Junfeng Qin et al.

AICHE JOURNAL (2013)

添加到收藏夹

Article Engineering, Chemical

Role of Guest Molecules on the Hydrate Growth at Vapor-Liquid Interfaces

Dongsheng Bai et al.

AICHE JOURNAL (2013)

添加到收藏夹

Article Chemistry, Physical

Theoretical Study of Gas Hydrate Decomposition Kinetics-Model Development

Christoph Windmeier et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2013)

添加到收藏夹

Article Chemistry, Physical

Heat Transfer Calculations for Decomposition of Structure I Methane Hydrates by Molecular Dynamics Simulation

Vikesh Singh Baghel et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2013)

添加到收藏夹

Article Chemistry, Physical

Molecular Modeling of the Dissociation of Methane Hydrate in Contact with a Silica Surface

S. Alireza Bagherzadeh et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

添加到收藏夹

Article Chemistry, Physical

Molecular Dynamics Study of Carbon Dioxide Hydrate Dissociation

Sapna Sarupria et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

添加到收藏夹

Proceedings Paper Engineering, Multidisciplinary

Effects of Occupation of the Cages on Thermodynamic Stability of sI CO2 Clathrate Hydrate

Yingxai Qi et al.

MANUFACTURING SCIENCE AND TECHNOLOGY, PTS 1-3 (2011)

添加到收藏夹

Article Chemistry, Physical

Determining the three-phase coexistence line in methane hydrates using computer simulations

M. M. Conde et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

添加到收藏夹

Article Chemistry, Physical

Nonequilibrium adiabatic molecular dynamics simulations of methane clathrate hydrate decomposition

Saman Alavi et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

添加到收藏夹

Article Chemistry, Physical

Nucleation Pathways of Clathrate Hydrates: Effect of Guest Size and Solubility

Liam C. Jacobson et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

添加到收藏夹

Article Chemistry, Multidisciplinary

Direct Space Methods for Powder X-ray Diffraction for Guest-Host Materials: Applications to Cage Occupancies and Guest Distributions in Clathrate Hydrates

Satoshi Takeya et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)

添加到收藏夹

Article Chemistry, Physical

Molecular dynamics study of thermal-driven methane hydrate dissociation

Niall J. English et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

添加到收藏夹

Article Chemistry, Physical

Molecular Dynamics Simulations of Methane Hydrate Decomposition

Evgeniy M. Myshakin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

添加到收藏夹

Article Chemistry, Physical

Thermodynamic Stability and Growth of Guest-Free Clathrate Hydrates: A Low-Density Crystal Phase of Water

Liam C. Jacobson et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

添加到收藏夹

Article Chemistry, Physical

Efficient sampling of lee structures by electrostatic switching

Gerrick E. Lindberg et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

添加到收藏夹

Article Chemistry, Physical

Computer simulation of methane hydrate cage occupancy

Vladimir V. Sizov et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

添加到收藏夹

Article Chemistry, Physical

Growth mechanism of a gas clathrate hydrate from a dilute aqueous gas solution: A molecular dynamics simulation of a three-phase system

Hiroki Nada

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

添加到收藏夹

Article Materials Science, Multidisciplinary

Dynamics and equation of state of hydrogen clathrate hydrate as a function of cage occupation

TM Inerbaev et al.

COMPUTATIONAL MATERIALS SCIENCE (2006)

添加到收藏夹

Article Chemistry, Physical

A general purpose model for the condensed phases of water: TIP4P/2005

JLF Abascal et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

添加到收藏夹

The melting kinetics of gas hydrate with different cage occupancy and empty cage distribution

相关参考文献

导出引文

分享论文