4.7 Article

Molecular Study on Carbon Dioxide Hydrate Formation in Salty Water

Related references

Note: Only part of the references are listed.
Article Thermodynamics

Energy-efficient storage of methane and carbon dioxide capture in the form of clathrate hydrates using a novel non-foaming surfactant: An experimental and computational investigation

Elaheh Sadeh et al.

Summary: The increased energy demand and population growth have resulted in a significant rise in atmospheric carbon dioxide (CO2). Natural gas and carbon capture and storage are crucial for efficient management. Gas hydrates have potential for CO2 capture and energy storage, but their slow formation kinetics have limited commercial usage. In this study, a novel anionic surfactant called aconitic acid (ASA) was developed to improve the formation kinetics of methane and CO2 hydrates. The experiments showed that even at low concentrations, ASA significantly enhanced the formation kinetics of methane hydrates. Molecular dynamics simulations revealed that ASA molecules increased the solubility of gas molecules in the solution, leading to enhanced hydrate growth. Furthermore, no foam formation occurred in the ASA solution at high concentrations. These findings highlight the potential of ASA as an efficient and foamless gas hydrate promoter for methane storage and CO2 capture applications.

ENERGY CONVERSION AND MANAGEMENT (2023)

Article Engineering, Environmental

Renewable biosurfactants for energy-efficient storage of methane: An experimental and computational investigation

Abdolreza Farhadian et al.

Summary: The study investigated the impact of sunflower oil-based promoters (SFOPs) on methane hydrate kinetics, showing that SFOP1 significantly reduced induction time and overall time of hydrate formation compared to SDS, and enhanced the kinetic constant of hydrate formation. SFOPs also increased gas consumption and did not lead to foam formation.

CHEMICAL ENGINEERING JOURNAL (2022)

Article Engineering, Environmental

Molecular behavior of CO2 hydrate growth in the presence of dissolvable ionic organics

Yi Lu et al.

Summary: Hydration-based techniques involving ions and organics show that hydrate growth rate in solutions with methylene blue molecules may not accelerate with increasing subcooling, and unexpected amorphous cage clusters can disturb solute agglomeration. The exclusion of methylene blue molecules during hydrate growth, replaced by CO2, involves chloride ions participating in cage building with water molecules' oxygen atoms, indicating an interaction between methylene blue and hydrate cages. These findings contribute to understanding hydrate formation in systems with ion-containing organics and improving kinetics-dependent processes in separation applications.

CHEMICAL ENGINEERING JOURNAL (2022)

Article Energy & Fuels

Molecular study on the behavior of methane hydrate decomposition induced by ions electrophoresis

Jie Chen et al.

Summary: Strong static electric fields can induce the migration of Na+ and Cl- ions, leading to the decomposition of methane hydrate. Increasing electric field strength enhances the destructive ability of ions to hydrate, resulting in faster decomposition. This study provides insights into a new method for natural gas hydrate extraction and inhibition of hydrate formation in pipelines, as well as the potential of using hydrate as a new ion exchange membrane material in the future.
Article Green & Sustainable Science & Technology

Formation kinetics, mechanism of CO2 hydrate and its applications

Fa-Ping Liu et al.

Summary: Carbon dioxide (CO2) hydrate technology has a wide range of potential applications, providing alternative solutions in the fields of climate and energy. This review discusses in detail the nucleation and growth of CO2 hydrate as well as its potential applications. Factors affecting the kinetics of CO2 hydrate formation, such as pressure, temperature, and additives, are analyzed. Kinetic models are also constructed to describe the process of CO2 hydrate formation. Experimental studies and field tests demonstrate the promising industrial applications of CO2 hydrate technology.

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2022)

Article Chemistry, Multidisciplinary

Methane Hydrate Formation in the Salty Water Confined in Clay Nanopores: A Molecular Simulation Study

Zhongjin He et al.

Summary: A solid understanding of how clay surfaces and salt ions affect the formation of CH4 hydrates is crucial for the development of natural gas hydrate resources and technologies like seawater desalination. The simulation results show that different surfaces exhibit varying affinities for water, salt ions, and CH4, leading to significant impacts on hydrate formation. Gibbsite surfaces promote hydrate formation, while siloxane surfaces inhibit it due to surface adsorption of CH4. Salt ions further enhance inhibition.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2022)

Article Environmental Sciences

Effects of marine environments on methane hydrate formation in clay nanopores: A molecular dynamics study

Fengyi Mi et al.

Summary: This study investigates the formation of CH4 hydrates in clay nanopores under the influence of marine environmental factors such as seawater salinity, pressure, and temperature. The results reveal that high salinity hinders diffusion, high pressure promotes diffusion, and high temperature causes phase separation.

SCIENCE OF THE TOTAL ENVIRONMENT (2022)

Article Engineering, Chemical

Desalination of high-salt brine via carbon materials promoted cyclopentane hydrate formation

Rui Du et al.

Summary: Significant advances have been made in seawater desalination, but the discharge of hypersaline concentrate presents challenges for treatment. This study demonstrates the potential of hydrate-based desalination in treating brine with high concentrations of salt. Carbon materials play a crucial role in inducing hydrate nucleation and the crystallinity and surface compositions of these materials impact desalination efficiency. These findings will help in developing effective hydrate promoters for treating hypersaline brine.

DESALINATION (2022)

Article Engineering, Environmental

Nucleation rates of carbon dioxide hydrate

Vincent W. S. Lim et al.

Summary: Nucleation rates of carbon dioxide hydrate were measured and found to be higher than those of methane or structure II hydrates under the same conditions. The mononuclear mechanism was found to accurately describe the formation probability of CO2 hydrates.

CHEMICAL ENGINEERING JOURNAL (2022)

Article Thermodynamics

Molecular simulation study on the stability of methane hydrate confined in slit-shaped pores

Zhengcai Zhang et al.

Summary: This study investigates the stability of natural gas hydrates in confined space through molecular simulations, focusing on the effects of pore size and pore surface properties. The results show that the melting points of methane hydrate are controlled by the slit size, while the mineral surface has a minor effect. Additionally, the specific surface area of hydrate particles determines their stability in silica slits. Methane hydrate dissociates faster in confined space, especially in hydrophilic systems.

ENERGY (2022)

Article Chemistry, Physical

Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation

Joanna Grabowska et al.

Summary: This paper determined the solubility of methane in water along a 400 bar isobar, showing how it changes with temperature and the impact of curvature on solubility. The role of methane concentration in the formation of hydrate was revealed, indicating its importance in understanding the kinetics of hydrate formation.

JOURNAL OF PHYSICAL CHEMISTRY B (2022)

Review Thermodynamics

CO2 hydrate properties and applications: A state of the art

Saeid Sinehbaghizadeh et al.

Summary: Global warming, caused by anthropogenic CO2 emissions, has become a pressing environmental concern. Natural gas hydrate reservoirs have emerged as a potential source of energy and a possible solution for CO2 sequestration. CO2 hydrates, as safe and non-flammable compounds, can be used in industrial processes if their approaches can be improved. Laboratory experiments, process modelling, and molecular dynamics simulations can aid in understanding the properties and mechanisms of CO2 hydrates. This review focuses on the sequestration of CO2, process flow diagrams, the effects of hydrate promoters and porous media, and the fundamental properties of CO2 hydrates at the molecular level.

PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2022)

Article Chemistry, Multidisciplinary

Molecular Insights into the Impacts of Calcite Nanoparticles on Methane Hydrate Formation

Zhengcai Zhang et al.

Summary: This study investigated the impacts of calcite nanoparticles on methane hydrate formation through molecular dynamics simulations. The results revealed that the nanoparticles inhibit methane hydrate nucleation and do not have clear connections with nucleated hydrates. Furthermore, the nanoparticles only affect hydrate growth when the growth front approaches the bound water around the nanoparticles.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2022)

Review Geosciences, Multidisciplinary

Molecular simulation studies on natural gas hydrates nucleation and growth: A review

Zheng-cai Zhang et al.

Summary: This article provides a systematic evaluation of recent advances in molecular dynamics simulation of hydrate nucleation and growth. It explores the enlightening significance of these studies for hydrate applications. Additionally, potential directions for molecular simulation in the research of hydrate nucleation and growth are proposed, and the future of molecular simulation research in this field is discussed.

CHINA GEOLOGY (2022)

Article Thermodynamics

Thermodynamics and kinetics of CO2 hydrate formation in the presence of cellulose nanocrystals with statistical treatment of data

Jairo Eduardo Cendales et al.

Summary: The study compared the induction time and rate of hydrate crystal growth in cellulose nanocrystal suspensions and CO2 hydrate formation in pure water, finding that CNC did not significantly impact CO2 hydrate formation. This raises questions about previous claims regarding the effects of carbon nanotubes and nanoparticles on gas hydrate formation, which were based on small sample sizes without statistical data analysis.

FLUID PHASE EQUILIBRIA (2021)

Article Energy & Fuels

Energy Analysis of Methane-Hydrate-Based Produced Water Desalination

Ponnivalavan Babu et al.

Summary: Managing produced water is a significant environmental issue in the energy industry, with reverse osmosis and thermal distillation being commonly used techniques. Hydrate-based desalination shows promise as a low energy option, with external refrigeration identified as a major contributor to energy consumption.

ENERGY & FUELS (2021)

Article Chemistry, Physical

Molecular simulation study of methane hydrate formation mechanism in NaCl solutions with different concentrations

Jiafang Xu et al.

Summary: The effects of NaCl on hydrate formation depend on its concentrations. Low concentrations of NaCl promote hydrate formation while high concentrations inhibit it. Higher salt concentrations prolong the induction time of hydrate formation by reducing tetrahedral water molecules and inhibiting methane dissolution. The ions in NaCl solution can disrupt cage structures and retard hydrate growth.

CHEMICAL PHYSICS (2021)

Article Chemistry, Multidisciplinary

Dynamic Analysis of Growth of Ice and Hydrate Crystals by In Situ Raman and Their Significance in Freezing Desalination

Hai Son Truong-Lam et al.

Summary: This study investigated the thermodynamic properties and dynamic behavior of ice and hydrate crystal growth in the freezing desalination process using CO2 and HFC134a as hydrate formers. The results showed a different crystal growth rate order in pure water compared to 3.5 wt% NaCl solution, which was consistent with visual morphology observations and in situ Raman analysis. The study also identified specific hydrate structures and distinguished between ice and hydrate crystals using Raman spectral analysis, providing insights for industrial freezing processes design.

CRYSTAL GROWTH & DESIGN (2021)

Article Chemistry, Physical

Molecular Understanding of Homogeneous Nucleation of CO2 Hydrates Using Transition Path Sampling

A. Arjun et al.

Summary: Carbon dioxide hydrate is a solid composed of water cages that encapsulate CO2 molecules. Homogeneous nucleation mechanism and different cage types are influenced by temperature, providing insight into the molecular mechanisms behind polymorph formation. Transition path sampling allows for unbiased study of complex phase transformations.

JOURNAL OF PHYSICAL CHEMISTRY B (2021)

Article Energy & Fuels

Insight on the stability of polycrystalline natural gas hydrates by molecular dynamics simulations

Zhengcai Zhang et al.

Summary: Gas hydrates, both in natural and synthesized forms, exhibit complex grain boundary structures which play a significant role in the dissociation process. The thermal stability of polycrystalline hydrates at grain boundaries is influenced by the guest types and grain boundary structures, with CH4 hydrates dissociating only above bulk melting temperature and CO2 hydrates decomposing differently. Additionally, CO2 molecules can accelerate the dissociation process by inducing gas bubble formation and preferential localization within bubbles, with dissociation initiating from the decomposition of specific cage structures.
Article Chemistry, Physical

Homogenous nucleation rate of CO2 hydrates using transition interface sampling

A. Arjun et al.

Summary: This study investigates the homogenous nucleation rate of CO2 hydrates at low temperatures using transition interface sampling simulations, revealing the differences in hydrate formation processes at different temperatures and shedding light on the kinetics of nucleation processes.

JOURNAL OF CHEMICAL PHYSICS (2021)

Article Engineering, Environmental

Molecular mechanisms by which tetrahydrofuran affects CO2 hydrate Growth: Implications for carbon storage

Anh Phan et al.

Summary: Gas hydrates have recently shown potential applications for greenhouse gas capture and storage. This study investigates the impact of tetrahydrofuran (THF) on the kinetics of CO2 hydrate growth/dissociation and storage capacity. The simulations confirm that THF reduces CO2 storage capacity due to its preferred occupancy in hydrate cages.

CHEMICAL ENGINEERING JOURNAL (2021)

Article Chemistry, Physical

Behaviors of NaCl Ions Intruding into Methane Hydrate under a Static Electric Field

Kehan Li et al.

Summary: This study found that introducing an electric field into methane hydrates in NaCl solution can significantly enhance the inhibitory effect of the electric field, as the field can drive salt ions into the hydrate layer to form temporary structures. These structures are unstable, allowing ions to easily migrate and cause structural breakdown.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

Article Thermodynamics

Phase Equilibrium of Carbon Dioxide Hydrates Inhibited with MEG and NaCl above the Upper Quadruple Point

Jose C. Cordeiro et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2020)

Article Energy & Fuels

Revealing the Growth of H2 + THF Binary Hydrate through Molecular Simulations

Huiquan Tian et al.

ENERGY & FUELS (2020)

Article Engineering, Environmental

Thermodynamic and kinetic analysis of gas hydrates for desalination of saturated salinity water

Seong Deok Seo et al.

CHEMICAL ENGINEERING JOURNAL (2019)

Article Engineering, Chemical

Desalination using gas hydrates: The role of crystal nucleation, growth and separation

Muhammad Naveed Khan et al.

DESALINATION (2019)

Review Multidisciplinary Sciences

Characterizing key features in the formation of ice and gas hydrate systems

Shuai Liang et al.

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2019)

Article Chemistry, Physical

Molecular Insight into the Growth of Hydrogen and Methane Binary Hydrates

Zhengcai Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Review Chemistry, Multidisciplinary

A Review of Clathrate Hydrate Based Desalination To Strengthen Energy-Water Nexus

Ponnivalavan Babu et al.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2018)

Review Engineering, Chemical

Current development and future prospect review of freeze desalination

Brenda Kalista et al.

DESALINATION (2018)

Article Chemistry, Physical

Revisiting the hydration structure of aqueous Na+

M. Galib et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

Nucleation mechanism of clathrate hydrates of water-soluble guest molecules

Ryan S. DeFever et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Review Chemistry, Multidisciplinary

A Review of Clathrate Hydrate Nucleation

Maninder Khurana et al.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2017)

Review Chemistry, Multidisciplinary

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

Gabriele C. Sosso et al.

CHEMICAL REVIEWS (2016)

Article Chemistry, Physical

Overview: Nucleation of clathrate hydrates

Pramod Warrier et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

Formation of Clathrate Hydrates of Water-Soluble Guest Molecules

Takuma Yagasaki et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Article Chemistry, Physical

Mechanism of Slow Crystal Growth of Tetrahydrofuran Clathrate Hydrate

Takuma Yagasaki et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Article Multidisciplinary Sciences

Evidence from mixed hydrate nucleation for a funnel model of crystallization

Kyle Wm. Hall et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2016)

Review Green & Sustainable Science & Technology

Geothermal source potential for water desalination - Current status and future perspective

Veera Gnaneswar Gude

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2016)

Article Engineering, Chemical

Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges

Niall J. English et al.

CHEMICAL ENGINEERING SCIENCE (2015)

Article Engineering, Environmental

CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite Water Interface

Daeseung Kyung et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2015)

Article Chemistry, Physical

Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line

J. M. Miguez et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Molecular Dynamics Study on the Growth Mechanism of Methane plus Tetrahydrofuran Mixed Hydrates

Jyun-Yi Wu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Multidisciplinary Sciences

Effect of salt on the H-bond symmetrization in ice

Livia Eleonora Bove et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)

Article Chemistry, Physical

Hydration structure of salt solutions from ab initio molecular dynamics

Arindam Bankura et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Thermodynamics

Hydrate phase equilibrium of ternary gas mixtures containing carbon dioxide, hydrogen and propane

Ponnivalavan Babu et al.

JOURNAL OF CHEMICAL THERMODYNAMICS (2013)

Article Chemistry, Physical

Nucleation of Gas Hydrates within Constant Energy Systems

Shuai Liang et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2013)

Article Chemistry, Physical

Growth of Structure I Carbon Dioxide Hydrate from Molecular Dynamics Simulations

Yen-Tien Tung et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

Article Chemistry, Multidisciplinary

The Mobility of Water Molecules through Gas Hydrates

Shuai Liang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Review Multidisciplinary Sciences

The Future of Seawater Desalination: Energy, Technology, and the Environment

Menachem Elimelech et al.

SCIENCE (2011)

Review Chemistry, Applied

Fundamentals and Applications of Gas Hydrates

Carolyn A. Koh et al.

ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 2 (2011)

Review Chemistry, Multidisciplinary

Nucleation of Crystals from Solution: Classical and Two-Step Models

Deniz Erdemir et al.

ACCOUNTS OF CHEMICAL RESEARCH (2009)

Review Engineering, Chemical

Clathrate Hydrates: From Laboratory Science to Engineering Practice

Amadeu K. Sum et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2009)

Article Engineering, Chemical

Environmental impact and impact assessment of seawater desalination

Sabine Lattemann et al.

DESALINATION (2008)

Article Chemistry, Physical

GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation

Berk Hess et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

Article Chemistry, Physical

Molecular insights into the heterogeneous crystal growth of sI methane hydrate

Jenel Vatamanu et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Chemistry, Physical

A potential model for the study of ices and amorphous water:: TIP4P/Ice -: art. no. 234511

JLF Abascal et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Review Multidisciplinary Sciences

Fundamental principles and applications of natural gas hydrates

ED Sloan

NATURE (2003)

Article Energy & Fuels

Historic background of desalination and renewable energies

E Delyannis

SOLAR ENERGY (2003)

Article Engineering, Chemical

Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen

JJ Potoff et al.

AICHE JOURNAL (2001)