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

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.

doi:10.1007/s10596-019-09903-x

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

Journal Article · 23 January 2020 · Computational Geosciences

DOI: https://doi.org/10.1007/s10596-019-09903-x · OSTI ID:1593878

^[1]; Soulaine, Cyprien ^[2]; Prasianakis, Nikolaos I. ^[3]; Abbasi, Aida ^[3]; Poncet, Philippe ^[4]; Ladd, Anthony J. C. ^[5]; Starchenko, Vitalii ^[6]; Roman, Sophie ^[7]; Trebotich, David ^[8]; Tchelepi, Hamdi A. ^[9]; Steefel, Carl I. ^[8]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); University of Florida
Stanford Univ., CA (United States); Univ. of Orleans (France); French Geological Survey (France)
Paul Scherrer Inst. (PSI), Villigen (Switzerland)
Univ. de Pau (France)
Univ. of Florida, Gainesville, FL (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Stanford Univ., CA (United States); Univ. of Orleans (France)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Stanford Univ., CA (United States)

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.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Nanoscale Control of Geologic CO2 (NCGC); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Florida, Gainesville, FL (United States)

Sponsoring Organization:: Carnot Institute ISIFoR; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Swiss National Science Foundation (SNF); Swiss National Supercomputing Centre (CSCS); USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: AC02-05CH11231; AC05-00OR22725; FG02-98ER14853; SC0018676

OSTI ID:: 1593878

Journal Information:: Computational Geosciences, Journal Name: Computational Geosciences Vol. 2020; ISSN 1420-0597

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

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