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Basic Research Needs for Geosciences - Energetics Meetings and ...

Basic Research Needs for Geosciences - Energetics Meetings and ...

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PANEL REPORT: MODELING AND SIMULATION OF GEOLOGIC SYSTEMSFigure 21. Coupling of in silico models with biogeochemical processes (Fe(III) reductive dissolution, carbonateprecipitation, transport <strong>and</strong> sorption) at the pore scale, with upscaling to the continuum (cm to meter) scale. (Mergedfigures from Reed <strong>and</strong> Palsson 2003, copyright © 2003, the American Society <strong>for</strong> Microbiology, all rights reserved(left); Steefel et al. 2005 (middle); <strong>and</strong> Steefel 2007 (right).)CONCLUSIONUnderground storage of carbon <strong>and</strong> geologic disposal of nuclear waste involve processes on timescales of hundreds to hundreds of thous<strong>and</strong>s of years, <strong>and</strong> spatial scales up to tens of kilometers.The large time <strong>and</strong> space scales involved make modeling <strong>and</strong> simulation essential tools <strong>for</strong>design, per<strong>for</strong>mance assessment, operation, <strong>and</strong> monitoring of such facilities. The complexity<strong>and</strong> multiscale nature of the physical <strong>and</strong> chemical processes that would be induced by thesesystems place dem<strong>and</strong>s on modeling capabilities that go far beyond the current state of the art inoil <strong>and</strong> gas reservoir engineering <strong>and</strong> groundwater hydrology.There is a need <strong>and</strong> an opportunity <strong>for</strong> developing modeling capabilities that, by establishing afundamental underst<strong>and</strong>ing of the response of complex geologic systems to strong anthropogenicperturbations, can provide a sound scientific basis <strong>for</strong> engineered storage <strong>and</strong> disposal facilities.The key to such underst<strong>and</strong>ing is representing interacting processes on the scales on which theyactually occur, using parameters derived from first principles that are appropriate <strong>for</strong> the scale onwhich they are used. Much research is needed to establish mathematical descriptions <strong>for</strong>multiscale physical <strong>and</strong> chemical processes, <strong>and</strong> to derive needed thermophysical, chemical <strong>and</strong>constitutive properties from first principles. Numerical implementation of such multiscaleprocess descriptions <strong>for</strong> field systems constrained by diverse sets of hard <strong>and</strong> soft data willrequire revolutionary advances in scaleable algorithms to be able to take advantage of futurepetascale computing facilities. A basic science program driven by these objectives will yieldbroad technical <strong>and</strong> economic benefits <strong>for</strong> utilizing <strong>and</strong> protecting subsurface resources <strong>and</strong>underground space.In addition, the geoscience community needs the capability to incorporate <strong>and</strong> quantify theinteractions between microbial populations <strong>and</strong> their geochemical environments in models ofnatural <strong>and</strong> perturbed geologic systems. These biogeochemical interactions may impact theevaluation of CO 2 storage, <strong>and</strong> the fate <strong>and</strong> transport of metals <strong>and</strong> radioactive elements.<strong>Basic</strong> <strong>Research</strong> <strong>Needs</strong> <strong>for</strong> <strong>Geosciences</strong>: Facilitating 21 st Century Energy Systems 63

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