תמונות העטיפה

Understanding geologic carbon sequestration and gas hydrate from molecular simulation /

The development, storage and comprehensive utilization of energy is an important subject concerned by scientists all over the world.Carbon capture and storage technology is one of the most effective mitigation technologies for global climate change, accurate understanding of the migration of multiph...

תיאור מלא

שמור ב:
מידע ביבליוגרפי
מחבר ראשי: Song, Yongchen (Author)
מחברים אחרים: Chen, Cong, Hu, Wenfeng
פורמט: ספר אלקטרוני
שפה:אנגלית
יצא לאור: Amsterdam, Netherlands : Elsevier, 2024.
נושאים:
Geological carbon sequestration.
Natural gas > Hydrates.
Piégeage du carbone géologique.
Gaz naturel > Hydrates.
Geological carbon sequestration
Natural gas > Hydrates
גישה מקוונת:ScienceDirect
תגים: הוספת תג
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תוכן הענינים:
  • Front Cover
  • Understanding Geologic Carbon Sequestration and Gas Hydrate from Molecular Simulation
  • Copyright Page
  • Contents
  • Preface
  • 1 General concepts of geologic carbon sequestration, gas hydrate, and molecular simulation
  • 1.1 Geologic carbon sequestration
  • 1.1.1 Background
  • 1.1.2 Geologic carbon sequestration sites
  • 1.1.2.1 Oil and gas reservoirs
  • 1.1.2.2 Unexploitable coal seam
  • 1.1.2.3 Deep ocean
  • 1.1.2.4 Deep saline aquifers
  • 1.1.3 Physicochemical processes in geologic carbon sequestration
  • 1.1.3.1 Structure trapping of CO2
  • 1.1.3.2 Residual trapping of CO2
  • 1.1.3.3 Solubility trapping of CO2
  • 1.1.3.4 Mineral trapping of CO2
  • 1.2 Gas hydrate
  • 1.2.1 Background
  • 1.2.2 Gas hydrate phase transition
  • 1.2.2.1 Decomposition of gas hydrates
  • 1.2.2.2 Formation of gas hydrates
  • 1.3 Molecular simulations
  • 1.3.1 Overview of molecular simulation
  • 1.3.1.1 Ensemble
  • 1.3.1.2 Boundary conditions
  • 1.3.1.3 Pressure and temperature control
  • 1.3.2 Molecular simulation protocols
  • 1.3.2.1 Molecular dynamics simulation
  • 1.3.2.2 Monte Carlo simulation
  • 1.3.3 Force fields
  • 1.3.3.1 Classical force field
  • 1.3.3.2 Force fields of CO2, H2O, and CH4
  • 1.4 Implications of molecular simulations
  • 1.4.1 Application of molecular simulation in geologic carbon sequestration
  • 1.4.1.1 The interfacial characteristics of CO2/CH4 fluid system
  • 1.4.1.2 The adsorption characteristics of CH4/CO2
  • 1.4.2 Application of molecular simulation in gas hydrate
  • 1.4.2.1 The microscopic process of hydrate decomposition
  • 1.4.2.2 The microscopic process of hydrate formation
  • 1.4.3 Scope of this book
  • References
  • 2 CO2/CH4-fluids-rock interactions
  • 2.1 Introduction
  • 2.2 Methods
  • 2.2.1 System construction and simulation details
  • 2.2.1.1 Interfacial tension models
  • 2.2.1.2 Contact angle model
  • 2.2.2 Parameters calculation protocols
  • 2.2.2.1 Interfacial tension
  • 2.2.2.2 Relative density
  • 2.2.2.3 Relative adsorption
  • 2.2.2.4 Hydrogen bond analysis
  • 2.2.2.5 Gas surface excess
  • 2.2.2.6 Contact angle
  • 2.3 CH4-water/brine interfacial properties
  • 2.3.1 CH4-water system
  • 2.3.1.1 Density profile
  • 2.3.1.2 Relative adsorption
  • 2.3.1.3 Interfacial thickness
  • 2.3.1.4 Charge profile
  • 2.3.2 CH4-brine system
  • 2.3.2.1 Hydration of ions
  • 2.3.2.2 Density profile
  • 2.3.2.3 Relative adsorption
  • 2.3.2.4 Interfacial thickness
  • 2.3.2.5 Charge profile
  • 2.4 The effects of impurities on interfacial tension and contact angle
  • 2.4.1 Predicted interfacial tension and contact angles
  • 2.4.1.1 Interfacial tension
  • 2.4.1.2 Contact angle
  • 2.4.2 Interfacial structure
  • 2.4.2.1 Interfacial tension
  • 2.4.2.2 Contact angle-Q3
  • 2.4.2.3 Contact angle-Q3/Q4
  • 2.4.3 Discussion
  • 2.5 Other affecting factors of CO2-brine-rock interactions
  • 2.5.1 Surface functional groups
  • 2.5.1.1 Predicted contact angles
  • 2.5.1.2 Discussions

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