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@ARTICLE{Poonoosamy:903490,
author = {Poonoosamy, J. and Wanner, C. and Alt Epping, P. and
Águila, J. F. and Samper, J. and Montenegro, L. and Xie, M.
and Su, D. and Mayer, K. U. and Mäder, U. and Van Loon, L.
R. and Kosakowski, G.},
title = {{B}enchmarking of reactive transport codes for 2{D}
simulations with mineral dissolution–precipitation
reactions and feedback on transport parameters},
journal = {Computational geosciences},
volume = {25},
number = {4},
issn = {1420-0597},
address = {Bussum},
publisher = {Baltzer Science Publ.},
reportid = {FZJ-2021-05162},
pages = {1337 - 1358},
year = {2021},
abstract = {Porosity changes due to mineral dissolution–precipitation
reactions in porous media and the resulting impact on
transport parameters influence the evolution of natural
geological environments or engineered underground barrier
systems. In the absence of long-term experimental studies,
reactive transport codes are used to evaluate the long-term
evolution of engineered barrier systems and waste disposal
in the deep underground. Examples for such problems are the
long-term fate of CO2 in saline aquifers and mineral
transformations that cause porosity changes at
clay–concrete interfaces. For porosity clogging under a
diffusive transport regime and for simple reaction networks,
the accuracy of numerical codes can be verified against
analytical solutions. For clogging problems with more
complex chemical interactions and transport processes,
numerical benchmarks are more suitable to assess model
performance, the influence of thermodynamic data, and
sensitivity to the reacting mineral phases. Such studies
increase confidence in numerical model descriptions of more
complex, engineered barrier systems. We propose a reactive
transport benchmark, considering the advective–diffusive
transport of solutes; the effect of liquid-phase density on
liquid flow and advective transport; kinetically controlled
dissolution–precipitation reactions causing porosity,
permeability, and diffusivity changes; and the formation of
a solid solution. We present and analyze the results of five
participating reactive transport codes (i.e., CORE2D,
MIN3P-THCm, OpenGeoSys-GEM, PFLOTRAN, and TOUGHREACT). In
all cases, good agreement of the results was obtained.},
cin = {IEK-6},
ddc = {550},
cid = {I:(DE-Juel1)IEK-6-20101013},
pnm = {1411 - Nuclear Waste Disposal (POF4-141)},
pid = {G:(DE-HGF)POF4-1411},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000678376200004},
doi = {10.1007/s10596-018-9793-x},
url = {https://juser.fz-juelich.de/record/903490},
}