Time-dependent shapes of a dissolving mineral grain: Comparisons of simulations with microfluidic experiments

Dutka, Filip; Starchenko, Vitaliy; Osselin, Florian; Magni, Silvana; Szymczak, Piotr; Ladd, Anthony J. C.

doi:10.1016/j.chemgeo.2019.119459

Title: Time-dependent shapes of a dissolving mineral grain: Comparisons of simulations with microfluidic experiments

Abstract

Experimental observations of the dissolution of calcium sulfate by flowing water have been used to investigate the assumptions underlying pore-scale models of reactive transport. Microfluidic experiments were designed to observe changes in size and shape as cylindrical disks (radius 10 mm) of gypsum dissolved for periods of up to 40 days. The dissolution flux over the whole surface of the sample can be determined by observing the motion of the interface. However, in order to extract surface reaction rates, numerical simulations are required to account for diffusional hindrance across the concentration boundary layer; the geometry is too complex for analytic solutions.We have found that a first-principles simulation of pore-scale flow and transport, with a single value of the surface reaction rate, was able to reproduce the time sequence of sample shapes without any fitting parameters. The value of the rate constant is close to recent experimental measurements but much smaller than some earlier values. The shape evolution is a more stringent test of the validity of the method than average measurements such as effluent concentration, because it requires the correct flux at each point on the sample surface.

Authors:

Dutka, Filip;

;

; Magni, Silvana; Szymczak, Piotr;

Publication Date:: Fri May 01 00:00:00 EDT 2020

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; Polish National Science Centre (NCN)

OSTI Identifier:: 1770227

Alternate Identifier(s):: OSTI ID: 1606995

Grant/Contract Number:: SC0018676; AC05-00OR22725; 2012/07/E/ST3/ 01734

Resource Type:: Published Article

Journal Name:: Chemical Geology

Additional Journal Information:: Journal Name: Chemical Geology Journal Volume: 540 Journal Issue: C; Journal ID: ISSN 0009-2541

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Subject:: 58 GEOSCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Dutka, Filip, Starchenko, Vitaliy, Osselin, Florian, Magni, Silvana, Szymczak, Piotr, and Ladd, Anthony J. C. Time-dependent shapes of a dissolving mineral grain: Comparisons of simulations with microfluidic experiments.  Netherlands: N. p., 2020. 
Web.  doi:10.1016/j.chemgeo.2019.119459.

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                    Dutka, Filip, Starchenko, Vitaliy, Osselin, Florian, Magni, Silvana, Szymczak, Piotr, & Ladd, Anthony J. C. Time-dependent shapes of a dissolving mineral grain: Comparisons of simulations with microfluidic experiments.  Netherlands.  https://doi.org/10.1016/j.chemgeo.2019.119459

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                    Dutka, Filip, Starchenko, Vitaliy, Osselin, Florian, Magni, Silvana, Szymczak, Piotr, and Ladd, Anthony J. C. Fri .  
"Time-dependent shapes of a dissolving mineral grain: Comparisons of simulations with microfluidic experiments".  Netherlands.  https://doi.org/10.1016/j.chemgeo.2019.119459.

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@article{osti_1770227,

  title        = {Time-dependent shapes of a dissolving mineral grain: Comparisons of simulations with microfluidic experiments},

  author       = {Dutka, Filip and Starchenko, Vitaliy and Osselin, Florian and Magni, Silvana and Szymczak, Piotr and Ladd, Anthony J. C.},

  abstractNote = {Experimental observations of the dissolution of calcium sulfate by flowing water have been used to investigate the assumptions underlying pore-scale models of reactive transport. Microfluidic experiments were designed to observe changes in size and shape as cylindrical disks (radius 10 mm) of gypsum dissolved for periods of up to 40 days. The dissolution flux over the whole surface of the sample can be determined by observing the motion of the interface. However, in order to extract surface reaction rates, numerical simulations are required to account for diffusional hindrance across the concentration boundary layer; the geometry is too complex for analytic solutions.We have found that a first-principles simulation of pore-scale flow and transport, with a single value of the surface reaction rate, was able to reproduce the time sequence of sample shapes without any fitting parameters. The value of the rate constant is close to recent experimental measurements but much smaller than some earlier values. The shape evolution is a more stringent test of the validity of the method than average measurements such as effluent concentration, because it requires the correct flux at each point on the sample surface.},

  doi          = {10.1016/j.chemgeo.2019.119459},

  journal      = {Chemical Geology},

  number       = C,

  volume       = 540,

  place        = {Netherlands},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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Title: Time-dependent shapes of a dissolving mineral grain: Comparisons of simulations with microfluidic experiments

Abstract

Citation Formats

Reactive-infiltration instabilities in rocks. Fracture dissolution journal, May 2012

The kinetics of dissolution of calcium sulphate dihydrate in water journal, August 1976

Geochemical self-organization II; the reactive-infiltration instability journal, December 1987

Application of level-set method for deposition in three-dimensional reconstructed porous media journal, May 2014

Irreversible Processes in Electrolytes. Diffusion, Conductance and Viscous Flow in Arbitrary Mixtures of Strong Electrolytes journal, November 1932

Mineral dissolution and wormholing from a pore-scale perspective journal, August 2017

Pure dissolution kinetics of anhydrite and gypsum in inhibiting aqueous salt solutions journal, September 2012

Reactive transport codes for subsurface environmental simulation journal, September 2014

Experimental investigation of the effect of dissolution on sandstone permeability, porosity, and reactive surface area journal, February 2004

Modelling of multispecies reactive transport on pore-space images journal, May 2019

731. Transport to the surface of a rotating disc journal, January 1956

Instabilities and finger formation in replacement fronts driven by an oversaturated solution: FINGER FORMATION IN MINERAL REPLACEMENT journal, August 2017

The Development of Wormholes in Laboratory‐Scale Fractures: Perspectives From Three‐Dimensional Simulations journal, October 2018

Systematic review of forsterite dissolution rate data journal, December 2012

Pore-scale simulation of multicomponent multiphase reactive transport with dissolution and precipitation journal, June 2015

Upscaling pore-scale reactive transport equations using a multiscale continuum formulation: PORE-SCALE REACTIVE TRANSPORT EQUATIONS journal, December 2007

Chemical kinetics of water-rock interactions journal, June 1984

Measurement of accessible reactive surface area in a sandstone, with application to CO2 mineralization journal, July 2012

Changes in reactive surface area during limestone dissolution: An experimental and modelling study journal, July 2009

Holographic interferometry study of the dissolution and diffusion of gypsum in water journal, April 2007

High-Resolution Simulation of Pore-Scale Reactive Transport Processes Associated with Carbon Sequestration journal, November 2014

Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set journal, January 2020

Benchmark reactive transport simulations of a column experiment in compacted bentonite with multispecies diffusion and explicit treatment of electrostatic effects journal, November 2014

Surface controlled dissolution rates of gypsum in aqueous solutions exhibit nonlinear dissolution kinetics journal, January 2001

Pore‐scale simulation of carbonate dissolution in micro‐CT images journal, February 2016

Dissolution rates of polycrystalline samples of gypsum and orthorhombic forms of calcium sulphate by a rotating disc method journal, January 1971

Numerical modeling of pore-scale phenomena during CO2 sequestration in oceanic sediments journal, October 2005

Intrinsic Kinetics of Gypsum and Calcium Sulfate Anhydrite Dissolution: Surface Selective Studies under Hydrodynamic Control and the Effect of Additives journal, May 2011

Microfluidic observation of the onset of reactive-infitration instability in an analog fracture: REACTIVE-INFILTRATION INSTABILITY journal, July 2016

Reactive-infiltration instabilities in rocks. Part 2. Dissolution of a porous matrix journal, December 2013

Determination of mineral dissolution regimes using flow-through time-resolved analysis (FT-TRA) and numerical simulation journal, July 2016

Does reactive surface area depend on grain size? Results from pH 3, 25°C far-from-equilibrium flow-through dissolution experiments on anorthite and biotite journal, April 2006

Pore-Scale Controls on Calcite Dissolution Rates from Flow-through Laboratory and Numerical Experiments journal, June 2014

Kinetics of gypsum dissolution in water journal, August 2015

Initial conditions or emergence: What determines dissolution patterns in rough fractures? journal, September 2015

Measurement of the pure dissolution rate constant of a mineral in water journal, December 2008

Reactive-infiltration instabilities in rocks. Fracture dissolution
journal, May 2012

The kinetics of dissolution of calcium sulphate dihydrate in water
journal, August 1976

Geochemical self-organization II; the reactive-infiltration instability
journal, December 1987

Application of level-set method for deposition in three-dimensional reconstructed porous media
journal, May 2014

Irreversible Processes in Electrolytes. Diffusion, Conductance and Viscous Flow in Arbitrary Mixtures of Strong Electrolytes
journal, November 1932

Mineral dissolution and wormholing from a pore-scale perspective
journal, August 2017

Pure dissolution kinetics of anhydrite and gypsum in inhibiting aqueous salt solutions
journal, September 2012

Reactive transport codes for subsurface environmental simulation
journal, September 2014

Experimental investigation of the effect of dissolution on sandstone permeability, porosity, and reactive surface area
journal, February 2004

Modelling of multispecies reactive transport on pore-space images
journal, May 2019

731. Transport to the surface of a rotating disc
journal, January 1956

Instabilities and finger formation in replacement fronts driven by an oversaturated solution: FINGER FORMATION IN MINERAL REPLACEMENT
journal, August 2017

The Development of Wormholes in Laboratory‐Scale Fractures: Perspectives From Three‐Dimensional Simulations
journal, October 2018

Systematic review of forsterite dissolution rate data
journal, December 2012

Pore-scale simulation of multicomponent multiphase reactive transport with dissolution and precipitation
journal, June 2015

Upscaling pore-scale reactive transport equations using a multiscale continuum formulation: PORE-SCALE REACTIVE TRANSPORT EQUATIONS
journal, December 2007

Chemical kinetics of water-rock interactions
journal, June 1984

Measurement of accessible reactive surface area in a sandstone, with application to CO2 mineralization
journal, July 2012

Changes in reactive surface area during limestone dissolution: An experimental and modelling study
journal, July 2009

Holographic interferometry study of the dissolution and diffusion of gypsum in water
journal, April 2007

High-Resolution Simulation of Pore-Scale Reactive Transport Processes Associated with Carbon Sequestration
journal, November 2014

Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set
journal, January 2020

Benchmark reactive transport simulations of a column experiment in compacted bentonite with multispecies diffusion and explicit treatment of electrostatic effects
journal, November 2014

Surface controlled dissolution rates of gypsum in aqueous solutions exhibit nonlinear dissolution kinetics
journal, January 2001

Pore‐scale simulation of carbonate dissolution in micro‐CT images
journal, February 2016

Dissolution rates of polycrystalline samples of gypsum and orthorhombic forms of calcium sulphate by a rotating disc method
journal, January 1971

Numerical modeling of pore-scale phenomena during CO2 sequestration in oceanic sediments
journal, October 2005

Intrinsic Kinetics of Gypsum and Calcium Sulfate Anhydrite Dissolution: Surface Selective Studies under Hydrodynamic Control and the Effect of Additives
journal, May 2011

Microfluidic observation of the onset of reactive-infitration instability in an analog fracture: REACTIVE-INFILTRATION INSTABILITY
journal, July 2016

Reactive-infiltration instabilities in rocks. Part 2. Dissolution of a porous matrix
journal, December 2013

Determination of mineral dissolution regimes using flow-through time-resolved analysis (FT-TRA) and numerical simulation
journal, July 2016

Does reactive surface area depend on grain size? Results from pH 3, 25°C far-from-equilibrium flow-through dissolution experiments on anorthite and biotite
journal, April 2006

Pore-Scale Controls on Calcite Dissolution Rates from Flow-through Laboratory and Numerical Experiments
journal, June 2014

Kinetics of gypsum dissolution in water
journal, August 2015

Initial conditions or emergence: What determines dissolution patterns in rough fractures?
journal, September 2015

Measurement of the pure dissolution rate constant of a mineral in water
journal, December 2008