Process‐based Modelling of Syn‐depositional Diagenesis

The creation of calcite microcrystals and microporosity through deep burial basinal flow processes driven by plate margin obduction – A realistic model?

“…Mixing of calcite-saturated groundwaters has long been recognised as a potential mechanism for calcite dissolution and precipitation in carbonate formations (Bögli, 1964;Runnells, 1969) due to the non-linear dependence of CaCO3 saturation on factors that include salinity, chemical compositions, pCO2, pH and temperature (Cordomí and Ayora, 2003;Sanz et al, 2011;Wigley and Plummer, 1976). Most previous studies have focused on mixing of meteoric and seawater in shallow coastal systems under steady-state conditions (De Vriendt et al, 2020;Rezaei et al, 2005;Sanford and Konikow, 1989;Whitaker and Frazer, 2018). Our simulations could shed some light on mixing dissolution and precipitation within dynamic flow systems in which permeability and mixing-fluid compositions may be constant, but flow rate changes abruptly.…”

Dolomitisation of carbonate platform margins by fault‐controlled geothermal convection: Insights from coupling stratigraphic and reactive transport models

“…There has been a sharp focus on application of RTMs to understand various aspects of the replacement of limestone by dolomite, despite the challenges inherent in the ‘dolomite problem’ (Machel, 2004; Whitaker et al, 2004; Xiao & Jones, 2018). However, the lack of integration with explicit simulation of sedimentological processes limits application of RTM to diagenetic reactions that occur soon after deposition and during early burial (Whitaker & Frazer, 2018). Attempts to replicate patterns of shallow reflux dolomitisation seen in outcrop demonstrate the importance of considering changes in boundary conditions and rock properties through time, even in systems where reaction rate is relatively rapid (Gabellone et al, 2016; Garcia‐Fresca & Jones, 2011; Garcia‐Fresca et al, 2012).…”

Probability distributions of mineral dissolution rates: the role of lattice defects

“…The growing demand of modern societies for reliable and predictable numerical models of critical geochemical processes can now be fulfilled with computational power. The ideas to solve important environmental problems, e.g., CO 2 sequestration (Balashov et al, 2013;Daval et al, 2013;Hellmann et al, 2013;Jun et al, 2013Jun et al, , 2017Smit, 2016;Arif et al, 2017;Daval, 2018;Wild et al, 2019;Loganathan et al, 2020;Deng et al, 2022;Shabani et al, 2022;Urych et al, 2022), water cleaning (Bhattacharyya and Gupta, 2007;Barry et al, 2021), soil enrichment and remediation from pollution (Aredes et al, 2012;Björneholm et al, 2016;Niazi et al, 2023), prediction of oil and gas reservoir behavior (Browning and Murphy, 2003;Steefel et al, 2015), or the safety of nuclear waste repositories (Payne et al, 2013;Kalinichev et al, 2017;Leal et al, 2017;Vinograd et al, 2018;Androniuk and Kalinichev, 2020;Wieland et al, 2020;Cygan et al, 2021;Claret et al, 2022;Liu et al, 2022), geothermal resource modeling (Wilson et al, 2001;Yapparova et al, 2014Yapparova et al, , 2019Yapparova et al, , 2023Whitaker and Frazer, 2018;Lamy-Chappuis et al, 2022), in silico via computer simulations seem to be both promising and economically efficient. Understanding the process-controlling reactions at mineral surfaces, i.e., dissolution, adsorption, nucleation, and crystal growth, constitutes a milestone in geochemical process modeling…”