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

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TABLE OF CONTENTSBasic Science Challenges, Opportunities and Research Needs .......................................................................... 44Integrated characterization and modeling of complex geologic systemswith large and diverse data sets ........................................................................................................................................ 44Scaling laws for flow, transport, reactions, and coupled processes .......................................................... 45Data fusion, instrumentation, tracers and uncertainty ........................................................................................ 45Improved geophysical imaging techniques ................................................................................................................ 46Conclusion ................................................................................................................................................................................................. 47Impacts in the geosciences .................................................................................................................................................. 47Impacts for other fields ............................................................................................................................................................ 48Modeling and Simulation of Geologic Systems ................................................................................................................. 49Current Status ......................................................................................................................................................................................... 49Basic Science Challenges, Opportunities and Research Needs .......................................................................... 50Modeling multiple processes at interacting scales ................................................................................................ 51Sidebar: CO 2 leakage ............................................................................................................................................................... 56Modeling complex systems with diverse data sets ............................................................................................... 57Quantifying and reducing predictive uncertainty .................................................................................................... 57Computational chemical thermodynamics—Equilibria and reactions ...................................................... 58Developing coupled in silico biogeochemical models ......................................................................................... 61Conclusion ................................................................................................................................................................................................. 63GRAND CHALLENGES ..................................................................................................................................................................................... 65Computational Thermodynamics of Complex Fluids and Solids ........................................................................ 67Abstract ....................................................................................................................................................................................................... 67Executive Summary ............................................................................................................................................................................ 67Scientific Challenges .......................................................................................................................................................................... 69Research Approaches ....................................................................................................................................................................... 70Dynamical methods at the atomic time scale and upscaling ......................................................................... 70Equations of State for complex systems ..................................................................................................................... 73Sidebar: Essential data collection for Equation of State (EOS) development .................................... 74Integrated Characterization, Modeling, and Monitoring of Geologic Systems ......................................... 79Abstract ....................................................................................................................................................................................................... 79Executive Summary ............................................................................................................................................................................ 79Scientific Challenges .......................................................................................................................................................................... 80Optimal detail in geological modeling ............................................................................................................................ 80Geologic process models of subsurface structure and heterogeneity ..................................................... 81Incorporating large and diverse datasets into models ........................................................................................ 83Relating geophysical measurements to in situ properties/processes ...................................................... 84Developing integrated monitoring approaches ........................................................................................................ 85Coupled monitoring and modeling approaches ...................................................................................................... 87Quantifying and reducing predictive uncertainty .................................................................................................... 89Early identification and quantification of anomalous behavior ...................................................................... 89Research Approaches ....................................................................................................................................................................... 90Scientific Impacts .................................................................................................................................................................................. 91Technology Impacts ............................................................................................................................................................................ 92Simulation of Multiscale Systems for Ultra-Long Times ............................................................................................. 95Abstract ....................................................................................................................................................................................................... 95Executive Summary ............................................................................................................................................................................ 95ivBasic Research Needs for Geosciences: Facilitating 21 st Century Energy Systems
TABLE OF CONTENTSScientific Challenges .......................................................................................................................................................................... 96Research Approaches .................................................................................................................................................................... 100Coupling methods used for different scales ........................................................................................................... 101Scientific Impacts ............................................................................................................................................................................... 102Technology Impacts ......................................................................................................................................................................... 103PRIORITY RESEARCH DIRECTIONS ................................................................................................................................................. 105Mineral-Water Interface Complexity and Dynamics ..................................................................................................... 107Abstract .................................................................................................................................................................................................... 107Executive Summary ......................................................................................................................................................................... 107Sidebar: Intrinsic structural complexity at mineral-water interfaces ....................................................... 108Summary of Research Direction .............................................................................................................................................. 109Sidebar: Solid-state charge transport at mineral-water interfaces .......................................................... 110Scientific Challenges ....................................................................................................................................................................... 111Scientific Impacts ............................................................................................................................................................................... 112Technology Impacts ......................................................................................................................................................................... 112Nanoparticulate and Colloid Chemistry and Physics ................................................................................................. 113Abstract .................................................................................................................................................................................................... 113Executive Summary ......................................................................................................................................................................... 113Sidebar: What is a colloid? ................................................................................................................................................ 114Summary of Research Direction .............................................................................................................................................. 115Scientific Challenges ....................................................................................................................................................................... 115Sampling ........................................................................................................................................................................................ 116Atomic-scale characterization of colloid structure .............................................................................................. 116Theory, modeling and simulation ................................................................................................................................... 117Scientific Impacts ............................................................................................................................................................................... 119Technology Impacts ......................................................................................................................................................................... 119Dynamic Imaging of Flow and Transport ............................................................................................................................. 121Abstract .................................................................................................................................................................................................... 121Executive Summary ......................................................................................................................................................................... 121Summary of Research Direction .............................................................................................................................................. 122Scientific Challenges ....................................................................................................................................................................... 124Spatially and temporally continuous measurement of state variables .................................................. 125Smart tracers ............................................................................................................................................................................... 125Groundwater age distribution ........................................................................................................................................... 127The interaction of physical fields with fluid-filled rocks .................................................................................... 128Scientific Impacts ............................................................................................................................................................................... 129Technology Impacts ......................................................................................................................................................................... 129Transport Properties and In Situ Characterization of Fluid Trapping,Isolation, and Immobilization ......................................................................................................................................................... 131Abstract .................................................................................................................................................................................................... 131Executive Summary ......................................................................................................................................................................... 131Scientific Challenges ....................................................................................................................................................................... 132Interfacial and surface properties of fluids in fine-grained and fractured media ............................. 133Conductivity of faults and fractures .............................................................................................................................. 133In situ measurement of fluid-rock interactions in fine-grained media .................................................... 133Identification and characterization of local flaws in sealing structures ................................................. 134Basic Research Needs for Geosciences: Facilitating 21 st Century Energy Systemsv
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Page 13 and 14: EXECUTIVE SUMMARYpurpose of linking
Page 15 and 16: INTRODUCTIONINTRODUCTIONWorldwide e
Page 17 and 18: INTRODUCTIONway into the rock forma
Page 19 and 20: PANEL REPORTSMULTIPHASE FLUID TRANS
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PANEL REPORT: SUBSURFACE CHARACTERI
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PANEL REPORT: MODELING AND SIMULATI
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GRAND CHALLENGE: COMPUTATIONAL THER
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GRAND CHALLENGE:INTEGRATED CHARACTE
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GRAND CHALLENGE: SIMULATION OF MULT
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PRIORITY RESEARCH DIRECTION:MINERAL
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PRIORITY RESEARCH DIRECTION:NANOPAR
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PRIORITY RESEARCH DIRECTION:DYNAMIC
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PRIORITY RESEARCH DIRECTION: TRANSP
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PRIORITY RESEARCH DIRECTION:FLUID-I
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PRIORITY RESEARCH DIRECTION:BIOGEOC
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CROSSCUTTING ISSUE:THE MICROSOPIC B
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CROSSCUTTING ISSUE:THE MICROSOPIC B
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CROSSCUTTING ISSUE:HIGHLY REACTIVE
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CROSSCUTTING ISSUE:THERMODYNAMICS O
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CROSSCUTTING ISSUE:THERMODYNAMICS O
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REFERENCESBenner, S.G., Hansel, C.M
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REFERENCESChen, J., Hubbard, S., Pe
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REFERENCESEnnis-King, J., Preston,
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REFERENCESHolman, H.-Y., Perry, D.L
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REFERENCESLi, L., and Tchelepi, H.A
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REFERENCESNeal, A.L., Techkarnjanar
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REFERENCESReeves, P.C., and Celia,
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REFERENCESSteefel, C.I., DePaolo, D
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REFERENCESZachara, J.M., Ainsworth,
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AppendicesBasic Research Needs for
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APPENDIX 1: TECHNICAL PERSPECTIVES
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APPENDIX 2: WORKSHOP PROGRAMThursda
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Basic Research Needs for Geoscience
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APPENDIX 4: ACRONYMS AND ABBREVIATI
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