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

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