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Molecular Dynamics Simulations to St...

Akheramka, Aditaya O.

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

Record Type:	Electronic resources : Monograph/item
Title/Author:	Molecular Dynamics Simulations to Study the Effect of Fracturing on the Efficiency Of CH4-CO2 Replacement in Hydrates./
Author:	Akheramka, Aditaya O.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2018,
Description:	134 p.
Notes:	Source: Masters Abstracts International, Volume: 79-11.
Contained By:	Masters Abstracts International79-11.
Subject:	Chemical engineering. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10787039
ISBN:	9780355911930

Molecular Dynamics Simulations to Study the Effect of Fracturing on the Efficiency Of CH4-CO2 Replacement in Hydrates.
Akheramka, Aditaya O.

Molecular Dynamics Simulations to Study the Effect of Fracturing on the Efficiency Of CH4-CO2 Replacement in Hydrates. - Ann Arbor : ProQuest Dissertations & Theses, 2018 - 134 p.

Source: Masters Abstracts International, Volume: 79-11.

Thesis (M.S.)--University of Alaska Fairbanks, 2018.

This item must not be sold to any third party vendors.

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-CO 2 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 CO 2 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.

ISBN: 9780355911930Subjects--Topical Terms:

560457
Chemical engineering.
Subjects--Index Terms:

Fracturing

Molecular Dynamics Simulations to Study the Effect of Fracturing on the Efficiency Of CH4-CO2 Replacement in Hydrates.
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300 $a 134 p.
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500 $a Publisher info.: Dissertation/Thesis.
500 $a Advisor: Dandekar, Abhijit Y.;Patil, Shirish L.
502 $a Thesis (M.S.)--University of Alaska Fairbanks, 2018.
506 $a This item must not be sold to any third party vendors.
520 $a 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-CO 2 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 CO 2 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.
590 $a School code: 0006.
650 4 $a Chemical engineering. $3 560457
650 4 $a Petroleum engineering. $3 566616
650 4 $a Energy. $3 876794
653 $a Fracturing
653 $a In-situ replacement
653 $a Methane hydrates
653 $a Molecular dynamics
653 $a Nanobubble
653 $a Surface area
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690 $a 0765
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710 2 $a University of Alaska Fairbanks. $b Petroleum Engineering. $3 3551004
773 0 $t Masters Abstracts International $g 79-11.
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792 $a 2018
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10787039