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

Abstract

This manuscript presents a benchmark problem for the simulation of single-phase flow, reactive transport, and solid geometry evolution at the pore scale. The problem is organized in three parts that focus on specific aspects: flow and reactive transport (part I), dissolution-driven geometry evolution in two dimensions (part II), and an experimental validation of three-dimensional dissolution-driven geometry evolution (part III). Five codes are used to obtain the solution to this benchmark problem, including Chombo-Crunch, OpenFOAM-DBS, a lattice Boltzman code, Vortex, and dissolFoam. These codes cover a good portion of the wide range of approaches typically employed for solving pore-scale problems in the literature, including discretization methods, characterization of the fluid-solid interfaces, and methods to move these interfaces as a result of fluid-solid reactions. A short review of these approaches is given in relation to selected published studies. Results from the simulations performed by the five codes show remarkable agreement both quantitatively--based on upscaled parameters such as surface area, solid volume, and effective reaction rate--and qualitatively--based on comparisons of shape evolution. This outcome is especially notable given the disparity of approaches used by the codes. Therefore, these results establish a strong benchmark for the validation and testing of pore-scale codes developed formore » the simulation of flow and reactive transport with evolving geometries. They also underscore the significant advances seen in the last decade in tools and approaches for simulating this type of problem.« less

Authors:
ORCiD logo [1];  [2];  [3];  [3];  [4];  [5];  [6];  [7];  [1];  [8];  [1]
+ Show Author Affiliations
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Stanford Univ., CA (United States); Univ. of Orleans (France); French Geological Survey (France)
  3. Paul Scherrer Inst. (PSI), Villigen (Switzerland)
  4. Univ. de Pau (France)
  5. Univ. of Florida, Gainesville, FL (United States)
  6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  7. Stanford Univ., CA (United States); Univ. of Orleans (France)
  8. Stanford Univ., CA (United States)
Publication Date:
Research Org.:
Univ. of Florida, Gainesville, FL (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Nanoscale Control of Geologic CO2 (NCGC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); USDOE Laboratory Directed Research and Development (LDRD) Program; Carnot Institute ISIFoR; Swiss National Science Foundation (SNF); Swiss National Supercomputing Centre (CSCS)
OSTI Identifier:
1593878
Alternate Identifier(s):
OSTI ID: 1597729; OSTI ID: 1615220
Grant/Contract Number:  
SC0018676; AC02-05CH11231; AC05-00OR22725; FG02-98ER14853; RugoRX
Resource Type:
Accepted Manuscript
Journal Name:
Computational Geosciences
Additional Journal Information:
Journal Volume: 2020; Journal ID: ISSN 1420-0597
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES; Pore scale; Reactive transport; Moving boundary; Benchmark; Review of approaches

Citation Formats

Molins, Sergi, Soulaine, Cyprien, Prasianakis, Nikolaos I., Abbasi, Aida, Poncet, Philippe, Ladd, Anthony J. C., Starchenko, Vitalii, Roman, Sophie, Trebotich, David, Tchelepi, Hamdi A., and Steefel, Carl I. Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set. United States: N. p., 2020. Web. doi:10.1007/s10596-019-09903-x.
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Molins, Sergi, Soulaine, Cyprien, Prasianakis, Nikolaos I., Abbasi, Aida, Poncet, Philippe, Ladd, Anthony J. C., Starchenko, Vitalii, Roman, Sophie, Trebotich, David, Tchelepi, Hamdi A., & Steefel, Carl I. Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set. United States. doi:https://doi.org/10.1007/s10596-019-09903-x
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Molins, Sergi, Soulaine, Cyprien, Prasianakis, Nikolaos I., Abbasi, Aida, Poncet, Philippe, Ladd, Anthony J. C., Starchenko, Vitalii, Roman, Sophie, Trebotich, David, Tchelepi, Hamdi A., and Steefel, Carl I. Thu . "Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set". United States. doi:https://doi.org/10.1007/s10596-019-09903-x. https://www.osti.gov/servlets/purl/1593878.
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@article{osti_1593878,
title = {Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set},
author = {Molins, Sergi and Soulaine, Cyprien and Prasianakis, Nikolaos I. and Abbasi, Aida and Poncet, Philippe and Ladd, Anthony J. C. and Starchenko, Vitalii and Roman, Sophie and Trebotich, David and Tchelepi, Hamdi A. and Steefel, Carl I.},
abstractNote = {This manuscript presents a benchmark problem for the simulation of single-phase flow, reactive transport, and solid geometry evolution at the pore scale. The problem is organized in three parts that focus on specific aspects: flow and reactive transport (part I), dissolution-driven geometry evolution in two dimensions (part II), and an experimental validation of three-dimensional dissolution-driven geometry evolution (part III). Five codes are used to obtain the solution to this benchmark problem, including Chombo-Crunch, OpenFOAM-DBS, a lattice Boltzman code, Vortex, and dissolFoam. These codes cover a good portion of the wide range of approaches typically employed for solving pore-scale problems in the literature, including discretization methods, characterization of the fluid-solid interfaces, and methods to move these interfaces as a result of fluid-solid reactions. A short review of these approaches is given in relation to selected published studies. Results from the simulations performed by the five codes show remarkable agreement both quantitatively--based on upscaled parameters such as surface area, solid volume, and effective reaction rate--and qualitatively--based on comparisons of shape evolution. This outcome is especially notable given the disparity of approaches used by the codes. Therefore, these results establish a strong benchmark for the validation and testing of pore-scale codes developed for the simulation of flow and reactive transport with evolving geometries. They also underscore the significant advances seen in the last decade in tools and approaches for simulating this type of problem.},
doi = {10.1007/s10596-019-09903-x},
journal = {Computational Geosciences},
number = ,
volume = 2020,
place = {United States},
year = {2020},
month = {1}
}
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