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Title: Exploratory Research on Simulation of CO2-Brine-Mineral Interactions

Abstract

Application of many carbon sequestration strategies requires knowledge of thermodynamic properties for the extremely complex chemical system of CO{sub 2}-SO{sub 2}-H{sub 2}O-NaCl-CaCl{sub 2}-MgCl{sub 2}. This University Coal Research Phase I program has been successful and highly productive in exploring an approach to develop an equation of state (EOS) to describe thermodynamic properties in the above chemical system. We have compiled available laboratory experimental data and thermodynamic models, and evaluated their appropriateness for the carbon sequestration process. Based on this literature review, we provided an improved CO{sub 2} solubility model for the CO{sub 2}-H{sub 2}O-NaCl system, which incorporates newly available experimental measurements funded by DOE, and is valid in temperature range from 273 to 533 K, pressure from 0 to 2000 bar, and salinity from 0 to 4.5 molality of NaCl equivalent. The improved model also greatly improves the computational efficiency of CO{sub 2} solubility calculations and thus is better suited to be incorporated into large computer simulation models (e.g., reservoir simulation models). The literature review and model development provided insights of the data needs and directions for future work. Synergetic collaboration with DOE scientists has resulted in simulations of injected CO{sub 2} fate in sandstone aquifer with a one-dimensional numericalmore » coupled reactive transport model. We evaluated over 100 references on CO{sub 2} solubility and submitted two manuscripts to peer-reviewed journals. One paper has been accepted for publication in ''Environmental Geosciences''.« less

Authors:
;
Publication Date:
Research Org.:
University of Pittsburgh
Sponsoring Org.:
USDOE
OSTI Identifier:
862200
DOE Contract Number:
FG26-03NT41806
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
01 COAL, LIGNITE, AND PEAT; AQUIFERS; CARBON SEQUESTRATION; COAL; COMPUTERIZED SIMULATION; EFFICIENCY; SALINITY; SANDSTONES; SIMULATION; SOLUBILITY; THERMODYNAMIC MODEL; THERMODYNAMIC PROPERTIES; TRANSPORT

Citation Formats

Chen Zhu, and Shiao hung Chiang. Exploratory Research on Simulation of CO2-Brine-Mineral Interactions. United States: N. p., 2005. Web. doi:10.2172/862200.
Chen Zhu, & Shiao hung Chiang. Exploratory Research on Simulation of CO2-Brine-Mineral Interactions. United States. doi:10.2172/862200.
Chen Zhu, and Shiao hung Chiang. Tue . "Exploratory Research on Simulation of CO2-Brine-Mineral Interactions". United States. doi:10.2172/862200. https://www.osti.gov/servlets/purl/862200.
@article{osti_862200,
title = {Exploratory Research on Simulation of CO2-Brine-Mineral Interactions},
author = {Chen Zhu and Shiao hung Chiang},
abstractNote = {Application of many carbon sequestration strategies requires knowledge of thermodynamic properties for the extremely complex chemical system of CO{sub 2}-SO{sub 2}-H{sub 2}O-NaCl-CaCl{sub 2}-MgCl{sub 2}. This University Coal Research Phase I program has been successful and highly productive in exploring an approach to develop an equation of state (EOS) to describe thermodynamic properties in the above chemical system. We have compiled available laboratory experimental data and thermodynamic models, and evaluated their appropriateness for the carbon sequestration process. Based on this literature review, we provided an improved CO{sub 2} solubility model for the CO{sub 2}-H{sub 2}O-NaCl system, which incorporates newly available experimental measurements funded by DOE, and is valid in temperature range from 273 to 533 K, pressure from 0 to 2000 bar, and salinity from 0 to 4.5 molality of NaCl equivalent. The improved model also greatly improves the computational efficiency of CO{sub 2} solubility calculations and thus is better suited to be incorporated into large computer simulation models (e.g., reservoir simulation models). The literature review and model development provided insights of the data needs and directions for future work. Synergetic collaboration with DOE scientists has resulted in simulations of injected CO{sub 2} fate in sandstone aquifer with a one-dimensional numerical coupled reactive transport model. We evaluated over 100 references on CO{sub 2} solubility and submitted two manuscripts to peer-reviewed journals. One paper has been accepted for publication in ''Environmental Geosciences''.},
doi = {10.2172/862200},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Nov 01 00:00:00 EST 2005},
month = {Tue Nov 01 00:00:00 EST 2005}
}

Technical Report:

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  • This report presents numerical simulations of isothermalreactive flows which might be induced in the caprock of an Italiandepleted gas reservoir by the geological sequestration of carbon dioxide.Our objective is to verify that CO2 geological disposal activitiesalready planned for the study area are safe and do not induce anyundesired environmental impact.Gas-water-rock interactions have beenmodelled under two different intial conditions, i.e., assuming that i)caprock is perfectly sealed, or ii) partially fractured. Field conditionsare better approximated in terms of the "sealed caprock model". Thefractured caprock model has been implemented because it permits toexplore the geochemical beahvior of the system under particularly severeconditions whichmore » are not currently encountered in the field, and then todelineate a sort of hypothetical maximum risk scenario.Major evidencessupporting the assumption of a sealed caprock stem from the fact that nogas leakages have been detected during the exploitation phase, subsequentreservoir repressurization due to the ingression of a lateral aquifer,and during several cycles of gas storage in the latest life of reservoirmanagement.An extensive program of multidisciplinary laboratory tests onrock properties, geochemical and microseismic monitoring, and reservoirsimulation studies is underway to better characterize the reservoir andcap-rock behavior before the performance of a planned CO2 sequestrationpilot test.In our models, fluid flow and mineral alteration are inducedin the caprock by penetration of high CO2 concentrations from theunderlying reservoir, i.e., it was assumed that large amounts of CO2 havebeen already injected at depth. The main focus is on the potential effectof these geochemical transformations on the sealing efficiency of caprockformations. Batch and multi-dimensional 1D and 2D modeling has been usedto investigate multicomponent geochemical processes. Our simulationsaccount for fracture-matrix interactions, gas phase participation inmultiphase fluid flow and geochemical reactions, and kinetics offluid-rock interactions.The main objectives of the modeling are torecognize the geochemical processes or parameters to which theadvancement of high CO2 concentrations in the caprock is most sensitive,and to describe the most relevant mineralogical transformations occurringin the caprock as a consequence of such CO2 storage in the underlyingreservoir. We also examine the feedback of these geochemical processes onphysical properties such as porosity, and evaluate how the sealingcapacity of the caprock evolves in time.« less
  • In the supercritical CO2-water-mineral systems relevant to subsurface CO2 sequestration, interfacial processes at the supercritical fluid-mineral interface will strongly affect core- and reservoir-scale hydrologic properties. Experimental and theoretical studies have shown that water films will form on mineral surfaces in supercritical CO2, but will be thinner than those that form in vadose zone environments at any given matric potential. The theoretical model presented here allows assessment of water saturation as a function of matric potential, a critical step for evaluating relative permeabilities the CO2 sequestration environment. The experimental water adsorption studies, using Quartz Crystal Microbalance and Fourier Transform Infrared Spectroscopymore » methods, confirm the major conclusions of the adsorption/condensation model. Additional data provided by the FTIR study is that CO2 intercalation into clays, if it occurs, does not involve carbonate or bicarbonate formation, or significant restriction of CO2 mobility. We have shown that the water film that forms in supercritical CO2 is reactive with common rock-forming minerals, including albite, orthoclase, labradorite, and muscovite. The experimental data indicate that reactivity is a function of water film thickness; at an activity of water of 0.9, the greatest extent of reaction in scCO2 occurred in areas (step edges, surface pits) where capillary condensation thickened the water films. This suggests that dissolution/precipitation reactions may occur preferentially in small pores and pore throats, where it may have a disproportionately large effect on rock hydrologic properties. Finally, a theoretical model is presented here that describes the formation and movement of CO2 ganglia in porous media, allowing assessment of the effect of pore size and structural heterogeneity on capillary trapping efficiency. The model results also suggest possible engineering approaches for optimizing trapping capacity and for monitoring ganglion formation in the subsurface.« less
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