Development and evaluation of a thermodynamic dataset for phases of interest in CO2 mineral sequestration in basaltic rocks

Abstract

Keywords: Thermodynamic dataset CO 2 -waterbasalt interaction Geochemical modeling CO 2 geological storage In situ CO 2 mineral sequestration A B S T R A C T A thermodynamic dataset describing 36 mineral reactions of interest for CO 2 -water-basalt interaction associated with CO 2 mineral sequestration in basaltic formations is presented. Mineral selection for the dataset is based on extensive review of natural analogs of water-basalt interaction at low and elevated CO 2 conditions. Widely used thermodynamic databases did not contain the mineral assemblage needed for successfully simulating the alteration processes observed in nature as important primary and secondary minerals were found to be missing. The EQ3/6 V7.2b database is the primary source for aqueous equilibrium constants in the developed dataset but reactions for four missing Al-hydroxy complexes were added. Recently published thermodynamic data were compiled for most of the minerals considered in this study. Mineral solubility constants obtained directly from measurements were compiled to the dataset without modification but SUPCRT was used for computing solubility constants when such data was not available. In order to verify that the presented dataset can capture alterations observed in nature, simulations of CO 2 -water-basalt interaction were carried out at low and elevated CO 2 conditions and compared to observed basalt alteration in Iceland and Greenland. Overall simulated and observed alteration are in good agreement, both at low and elevated CO 2 conditions, suggesting the dataset to be well suited for simulations of e.g. CO 2 -water-basalt interaction associated with CO 2 mineral sequestration in basalts.

Dioctahedral Phyllosilicates Versus Zeolites and Carbonates Versus Zeolites Competitions as Constraints to Understanding Early Mars Alteration Conditions

“…Then, the solubility of the volcanic glass corresponds to the sum of the solubility products of the oxides weighted by the mole fractions. The values obtained (Table ) are in good agreement with previous data on similar Icelandic volcanic glass (Aradóttir et al, ).…”

“…The basaltic glass used during the experiments was also implemented in the database. The following structural formula of the basaltic glass Si 1 Al 0.35 Fe 0.23 Mg 0.29 Ca 0.26 K 0.07 Na 0.01 O 3.345 was calculated from the total (Table 1), and it is in accordance with previous studies using similar volcanic glass (Aradóttir, Sonnenthal, & Jónsson, 2012;Gysi & Stefánsson, 2011). The estimation of the log(K) values for the dissolution of the basaltic glass were based on a theoretical approach (Paul, 1977), which considers the glass as oxide mixtures.…”

Improving Reactive Transport Modelling Predictivity for ASP Flooding Simulations

“…Dissolution of quartz has been well studied, for example, (Southwick, 1985;Choi et al, 2011;Brady & Walther, 1989, 1990Davis et al, 2011;Gratz & Bird, 1993;Knauss & Wolery, 1988;Knauss & Copenhaver, 1995;Schwartzentruber et al, 1987;Palandri & Kharaka, 2004;Aradóttir et al, 2012;Declercq & Oelkers, 2014).…”

“…Feldspar is also a common reservoir mineral that can dissolve under high pH conditions, which has been studied by (Arnórsson & Stefánsson, 1999;Hellmann, 1994Hellmann, , 1995Hellmann et al, 1997;Hellmann et al, 2010;Kampman et al, 2009;Knauss & Wolery, 1986;Alekseyev et al, 1997;Stefánsson & Arnórsson, 2000;Blum & Lasaga, 1991;Chou & Wollast, 1985;Palandri & Kharaka, 2004;Aradóttir et al, 2012;Crundwell, 2015a, b;Lu et al, 2013).…”

Fracture-based modeling of complex flow and CO2 migration in three-dimensional fractured rocks

“…The TOUGH series codes are widely used models originally developed by the groups of the Lawrence Berkley National Laboratory (LBNL) (Finsterle et al, 2014). These models were developed based on coupling thermal-hydrological-chemical (THC) mechanisms with different equation-of state (EOS) modules in porous media (Kiryukhin, et al, 2004;Itälä, et al, 2011;Aradóttir, et al, 2012). By integrating a flexible numerical discretization algorithm in TOUGH series models, Zhang et al (2004) used the TOUGH2 model and conducted a numerical study to assess the flow focusing behavior in 2D unsaturated fractured rock systems.…”