Understanding Geologic Carbon Sequestration and Gas Hydrate from Molecular Simulation


Book Description

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 multiphase fluids in reservoirs is crucial for reservoir stock evaluation and safety evaluation. Understanding Carbon Geologic Sequestration and Gas Hydrate from Molecular Simulation systematically introduces CO2 geological sequestration and gas hydrate at the molecular-scale, with research including interfacial properties of multiphase, multicomponent systems, hydrogen bonding properties, adsorption characteristics of CO2 / CH4 in the pore, kinetic properties of decomposition/nucleation/growth of gas hydrate, the influence of additives on gas hydrate growth dynamics, and hydrate prevention and control technology. This book focuses on research-based achievements and provides a comprehensive look at global progress in the field. Because there are limited resources available on carbon geologic sequestration technology and gas hydrate technology at the molecular level, the authors wrote this book to fill a gap in scientific literature and prompt further research. Distills learnings for fundamental and advanced knowledge of molecular simulation in carbon dioxide and gas hydrate storage Synthesizes knowledge about the development status of CGS technology and hydrate technology in the molecular field – tackling these technologies from a microscopic perspective Analyzes scientific problems related to CGS technology and hydrate technology based on molecular simulation methods Explores challenges relative to carbon dioxide and hydrate storage Provides hierarchical analysis combined with the authors’ own research-based case studies for enhanced comprehension and application




Geologic Carbon Sequestration


Book Description

This exclusive compilation written by eminent experts from more than ten countries, outlines the processes and methods for geologic sequestration in different sinks. It discusses and highlights the details of individual storage types, including recent advances in the science and technology of carbon storage. The topic is of immense interest to geoscientists, reservoir engineers, environmentalists and researchers from the scientific and industrial communities working on the methodologies for carbon dioxide storage. Increasing concentrations of anthropogenic carbon dioxide in the atmosphere are often held responsible for the rising temperature of the globe. Geologic sequestration prevents atmospheric release of the waste greenhouse gases by storing them underground for geologically significant periods of time. The book addresses the need for an understanding of carbon reservoir characteristics and behavior. Other book volumes on carbon capture, utilization and storage (CCUS) attempt to cover the entire process of CCUS, but the topic of geologic sequestration is not discussed in detail. This book focuses on the recent trends and up-to-date information on different storage rock types, ranging from deep saline aquifers to coal to basaltic formations.




Geochemistry of Geologic CO2 Sequestration


Book Description

Volume 77 of Reviews in Mineralogy and Geochemistry focuses on important aspects of the geochemistry of geological CO2 sequestration. It is in large part an outgrowth of research conducted by members of the U.S. Department of Energy funded Energy Frontier Research Center (EFRC) known as the Center for Nanoscale Control of Geologic CO2 (NCGC). Eight out of the 15 chapters have been led by team members from the NCGC representing six of the eight partner institutions making up this center - Lawrence Berkeley National Laboratory (lead institution, D. DePaolo - PI), Oak Ridge National Laboratory, The Ohio State University, the University of California Davis, Pacific Northwest National Laboratory, and Washington University, St. Louis.




Carbon Dioxide Sequestration in Geological Media


Book Description

Over the past 20 years, the concept of storing or permanently storing carbon dioxide in geological media has gained increasing attention as part of the important technology option of carbon capture and storage within a portfolio of options aimed at reducing anthropogenic emissions of greenhouse gases to the earths atmosphere. This book is structured into eight parts, and, among other topics, provides an overview of the current status and challenges of the science, regional assessment studies of carbon dioxide geological sequestration potential, and a discussion of the economics and regulatory aspects of carbon dioxide sequestration.




Molecular Dynamics Simulations to Study the Effect of Fracturing on the Efficiency of CH4 - CO2 Replacement in Hydrates


Book Description

Feasible techniques for long-term methane production from naturally occurring gas hydrates are being explored in both marine and permafrost geological formations around the world. Most of the deposits are found in low-permeability reservoirs and the economic and efficient exploitation of these is an important issue. One of the techniques gaining momentum in recent years is the replacement of CH4-hydrates with CO2-hydrates. Studies have been performed, at both laboratory and field based experimental and simulation scale, to evaluate the feasibility of the in situ mass transfer by injecting CO2 in gaseous, liquid, supercritical and emulsion form. Although thermodynamically feasible, these processes are limited by reaction kinetics and diffusive transport mechanisms. Increasing the permeability and the available surface area can lead to increased heat, mass and pressure transfer across the reservoir. Fracturing technology has been perfected over the years to provide a solution in such low-permeability reservoirs for surface-dependent processes. This work attempts to understand the effects of fracturing technology on the efficiency of this CH4-CO2 replacement process. Simulations are performed at the molecular scale to understand the effect of temperature, initial CO2 concentration and initial surface area on the amount of CH4 hydrates dissociated. A fully saturated methane hydrate lattice is subjected to a uniaxial tensile loading to validate the elastic mechanical properties and create a fracture opening for CO2 injection. The Isothermal Young’s modulus was found to be very close to literature values and equal to 8.25 GPa at 270 K. Liquid CO2 molecules were then injected into an artificial fracture cavity, of known surface area, and the system was equilibrated to reach conditions suitable for CH4 hydrate dissociation and CO2 hydrate formation. The author finds that as the simulation progresses, CH4 molecules are released into the cavity and the presence of CO2 molecules aids in the rapid formation of CH4 nanobubbles. These nanobubbles formed in the vicinity of the hydrate/liquid interface and not near the mouth of the cavity. The CO2 molecules were observed to diffuse into the liquid region and were not a part of the nanobubble. Dissolved gas and water molecules are found to accumulate near the mouth of the cavity in all cases, potentially leading to secondary hydrate formation at longer time scales. Temperatures studied in this work did not have a significant effect on the replacement process. Simulations with varying initial CO2 concentration, keeping the fracture surface area constant, show that the number of methane molecules released is directly proportional to the initial CO2 concentration. It was also seen that the number of methane molecules released increases with the increase in the initial surface area available for mass transfer. On comparing the positive effect of the two parameters, the initial CO2 concentration proved to have greater positive impact on the number of methane molecules released as compared to the surface area. These results provide some insight into the mechanism of combining the two recovery techniques. They lay the groundwork for further work exploring the use of fracturing as a primary kick-off technique prior to CO2 injection for methane production from hydrates.




Geological Sequestration of Carbon Dioxide


Book Description

The contents of this monograph are two-scope. First, it intends to provide a synthetic but complete account of the thermodynamic and kinetic foundations on which the reaction path modeling of geological CO2 sequestration is based. In particular, a great effort is devoted to review the thermodynamic properties of CO2 and of the CO2-H2O system and the interactions in the aqueous solution, the thermodynamic stability of solid product phases (by means of several stability plots and activity plots), the volumes of carbonation reactions, and especially the kinetics of dissolution/precipitation reactions of silicates, oxides, hydroxides, and carbonates. Second, it intends to show the reader how reaction path modeling of geological CO2 sequestration is carried out. To this purpose the well-known high-quality EQ3/6 software package is used. Setting up of computer simulations and obtained results are described in detail and used EQ3/6 input files are given to guide the reader step-by-step from the beginning to the end of these exercises. Finally, some examples of reaction-path- and reaction-transport-modeling taken from the available literature are presented. The results of these simulations are of fundamental importance to evaluate the amounts of potentially sequestered CO2, and their evolution with time, as well as the time changes of all the other relevant geochemical parameters (e.g., amounts of solid reactants and products, composition of the aqueous phase, pH, redox potential, effects on aquifer porosity). In other words, in this way we are able to predict what occurs when CO2 is injected into a deep aquifer.* Provides applications for investigating and predicting geological carbon dioxide sequestration* Reviews the geochemical literature in the field* Discusses the importance of geochemists in the multidisciplinary study of geological carbon dioxide sequestration




Gas Hydrate in Carbon Capture, Transportation and Storage


Book Description

This book offers a deep insight into gas hydrate-based carbon capture, transportation, and storage technology as a solution to decarbonization. The key aspects of carbon capture & storage technologies are discussed together with their advantages and status of development and commercialization. The authors delve into intricacies of gas hydrate reactor design, provide a review on the Techno-Economic Aspects (TEA), expound critical safety considerations and elucidate upon the regulatory mandates shaping the landscape of decarbonization initiatives. Gas Hydrate in Carbon Capture, Transportation and Storage: Technological, Economic, and Environmental Aspects is an essential resource for all academicians, researchers, flow assurance engineers, industry professionals and students working in this field.




Water for Energy and Fuel Production


Book Description

This text describes water's use in the production of raw fuels, as an energy carrier (e.g., hot water and steam), and as a reactant, reaction medium, and catalyst for the conversion of raw fuels to synthetic fuels. It explains how supercritical water is used to convert fossil- and bio-based feedstock to synthetic fuels in the presence and absence of a catalyst. It also explores water as a direct source of energy and fuel, such as hydrogen from water dissociation, methane from water-based clathrate molecules, and more.




Multiphase Flow in Porous Media with Phase Transitions


Book Description

Ongoing efforts to mitigate climate change include the understanding of natural and engineered processes that can impact the global carbon budget and the fate of greenhouse gases (GHG). Among engineered systems, one promising tool to reduce atmospheric emissions of anthropogenic carbon dioxide (CO2) is geologic sequestration of CO2 , which entails the injection of CO2 into deep geologic formations, like saline aquifers, for long-term storage. Among natural contributors, methane hydrates, an ice-like substance commonly found in seafloor sediments and permafrost, hold large amounts of the world's mobile carbon and are subject to an increased risk of dissociation due to rising temperatures. The dissociation of methane hydrates releases methane gas-a more potent GHG than CO2-and potentially contributes to a positive feedback in terms of climatic change. In this Thesis, we explore fundamental mechanisms controlling the physics of geologic CO2 sequestration and natural gas hydrate systems, with an emphasis on the interplay between multiphase flow-the simultaneous motion of several fluid phases and phase transitions-the creation or destruction of fluid or solid phases due to thermodynamically driven reactions. We first study the fate of CO2 in saline aquifers in the presence of CO2 -brine-carbonate geochemical reactions. We use high-resolution simulations to examine the interplay between the density-driven convective mixing and the rock dissolution reactions. We find that dissolution of carbonate rock initiates in regions of locally high mixing, but that the geochemical reaction shuts down significantly earlier than shutdown of convective mixing. This early shutdown reflects the important role that chemical speciation plays in this hydrodynamics-reaction coupled process. We then study hydrodynamic and thermodynamic processes pertaining to a gas hydrate system under changing temperature and pressure conditions. The framework for our analysis is that of phase-field modeling of binary mixtures far from equilibrium, and show that: (1) the interplay between phase separation and hydrodynamic instability can arrest the Ostwald ripening process characteristic of nonflowing mixtures; (2) partial miscibility exerts a powerful control on the degree of viscous fingering in a gas-liquid system, whereby fluid dissolution hinders fingering while fluid exsolution enhances fingering. We employ this theoretical phase-field modeling approach to explain observations of bubble expansion coupled with gas dissolution and hydrate formation in controlled laboratory experiments. Unraveling this coupling informs our understanding of the fate of hydrate-crusted methane bubbles in the ocean water column and the migration of gas pockets in hydrate-bearing sediments.




Chemical Energy from Natural and Synthetic Gas


Book Description

Commercial development of energy from renewables and nuclear is critical to long-term industry and environmental goals. However, it will take time for them to economically compete with existing fossil fuel energy resources and their infrastructures. Gas fuels play an important role during and beyond this transition away from fossil fuel dominance to a balanced approach to fossil, nuclear, and renewable energies. Chemical Energy from Natural and Synthetic Gas illustrates this point by examining the many roles of natural and synthetic gas in the energy and fuel industry, addressing it as both a "transition" and "end game" fuel. The book describes various types of gaseous fuels and how are they are recovered, purified, and converted to liquid fuels and electricity generation and used for other static and mobile applications. It emphasizes methane, syngas, and hydrogen as fuels, although other volatile hydrocarbons are considered. It also covers storage and transportation infrastructure for natural gas and hydrogen and methods and processes for cleaning and reforming synthetic gas. The book also deals applications, such as the use of natural gas in power production in power plants, engines, turbines, and vehicle needs. Presents a unified and collective look at gas in the energy and fuel industry, addressing it as both a "transition" and "end game" fuel. Emphasizes methane, syngas, and hydrogen as fuels. Covers gas storage and transport infrastructure. Discusses thermal gasification, gas reforming, processing, purification and upgrading. Describes biogas and bio-hydrogen production. Deals with the use of natural gas in power production in power plants, engines, turbines, and vehicle needs.