Title: Effect of Nucleation Heterogeneity on Mineral Precipitation in Confined Environments

Journal Article · · Geophysical Research Letters

Abstract The formation of new mineral phases in confined environments, especially in porous media, is crucial for various geological processes like mineralization and diagenesis. The nucleation and precipitation of minerals are initiated at the microscale through fluid‐rock interaction, where dissolution of primary phases leads to supersaturated conditions and nucleation and growth of secondary ones. Previous research has focused primarily on either precipitation or nucleation, without fully exploring their combined impact. Our study introduces a computational framework that integrates classical nucleation theory with the micro‐continuum method. We validated our model by comparing with experiments, and discovered that different surface nucleation rate changes the mode of precipitation from a preferential to uniform precipitate textures. Furthermore, our study uncovered that the conventional deterministic precipitation method tends to underestimate the permeability of the porous matrix. In contrast, the new framework significantly improves model accuracy by incorporating preferential precipitation and heterogeneous nucleation.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)
Grant/Contract Number:
AC02-05CH11231; AC05-00OR22725
OSTI ID:
2345252
Journal Information:
Geophysical Research Letters, Journal Name: Geophysical Research Letters Journal Issue: 9 Vol. 51; ISSN 0094-8276
Publisher:
American Geophysical Union (AGU)Copyright Statement
Country of Publication:
United States
Language:
English

References (35)

Three-dimensional simulations of fracture dissolution: FRACTURE DISSOLUTION IN 3-D journal September 2016
Next generation models of carbonate mineral growth and dissolution: Modeling and Analysis: Next generation models of carbonate mineral growth and dissolution journal January 2014
Permeability evolution due to dissolution and precipitation of carbonates using reactive transport modeling in pore networks: Permeability evolution due to reaction of carbonates journal September 2013
Mixing-induced precipitation and porosity evolution in porous media journal April 2005
Geometry and mineral heterogeneity controls on precipitation in fractures: An X-ray micro-tomography and reactive transport modeling study journal June 2021
A reactive transport modeling perspective on the dynamics of interface-coupled dissolution-precipitation journal February 2022
Predicting the potential for mineral scale precipitation in unconventional reservoirs due to fluid-rock and fluid mixing geochemical reactions journal January 2021
Interfacial energy effects and the evolution of pore size distributions during quartz precipitation in sandstone journal June 2010
Numerical simulation of salt precipitation in the fractures of a CO2-enhanced geothermal system journal October 2012
Pore-scale study of diffusion–reaction processes involving dissolution and precipitation using the lattice Boltzmann method journal August 2014
Simulations of reactive transport and precipitation with smoothed particle hydrodynamics journal March 2007
Geochemical reactions and their influence on petrophysical properties of ultra-low permeability oil reservoirs during water and CO2 flooding journal August 2021
Microbial induced carbonate precipitation for immobilizing Pb contaminants: Toxic effects on bacterial activity and immobilization efficiency journal July 2019
Pore-scale modelling of multiphase reactive flow: application to mineral dissolution with production of journal September 2018
Opposing Effects of Impurity Ion Sr 2+ on the Heterogeneous Nucleation and Growth of Barite (BaSO 4 ) journal September 2021
Influence of Flow Pathway Geometry on Barite Scale Deposition in Marcellus Shale during Hydraulic Fracturing journal July 2021
Fe Oxidation and Species Distribution at the Rock–Fluid Interface of Marcellus Shale Reacted with Hydraulic Fracturing Fluid journal July 2022
Controls on Barite (BaSO4) Precipitation in Unconventional Reservoirs journal August 2023
A 2.5D Reactive Transport Model for Fracture Alteration Simulation journal July 2016
Studies of Mineral Nucleation and Growth Across Multiple Scales: Review of the Current State of Research Using the Example of Barite (BaSO 4 ) journal November 2021
Numerical Study of Mineral Nucleation and Growth on a Substrate journal June 2022
Pore-Scale Modeling of Nucleation and Growth in Porous Media journal January 2020
A smoothed particle hydrodynamics model for reactive transport and mineral precipitation in porous and fractured porous media: SPH REACTIVE TRANSPORT MODEL journal May 2007
A Pore‐Scale Investigation of Mineral Precipitation Driven Diffusivity Change at the Column‐Scale journal May 2021
Reactive Transport Modeling of Mineral Precipitation and Carbon Trapping in Discrete Fracture Networks journal September 2022
Pore-scale modeling of multiphase reactive transport with phase transitions and dissolution-precipitation processes in closed systems journal April 2013
In situ TEM imaging of CaCO3 nucleation reveals coexistence of direct and indirect pathways journal September 2014
Phase Field Modeling of Precipitation and Dissolution Processes in Porous Media: Upscaling and Numerical Experiments journal January 2020
Principles of Crystal Nucleation and Growth journal January 2003
Fluid-Rock Interaction: A Reactive Transport Approach journal January 2009
Precipitation in Pores: A Geochemical Frontier journal January 2015
Micro-Continuum Approaches for Modeling Pore-Scale Geochemical Processes journal January 2015
Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale journal July 2022
Mineralization Technology for Carbon Capture, Utilization, and Storage journal July 2020
Effect of Nucleation Heterogeneity on Mineral Precipitation in Confined Environments [Software & Example Data] software March 2024