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Carbon Sequestration Initiative Brownbag Seminar New-Project Overviews 23 April 2010

Diagnostics, Validation and Intercomparison of Sequestration Codes Computational Framework for Diagnostics, Validation, and Intercomparison of Numerical Simulators for Geologic Sequestration. Carbon Sequestration Initiative Brownbag Seminar New-Project Overviews 23 April 2010.

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Carbon Sequestration Initiative Brownbag Seminar New-Project Overviews 23 April 2010

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  1. Diagnostics, Validation and Intercomparison of Sequestration Codes Computational Framework for Diagnostics, Validation, and Intercomparison of Numerical Simulators for Geologic Sequestration Carbon Sequestration Initiative Brownbag Seminar New-Project Overviews 23 April 2010 Mark White, Ph.D., P.E. Senior Research Engineer II Hydrology Group Pacific Northwest National Laboratory Tel: (509) 372-6070 E-mail: mark.white@pnl.gov

  2. Project Rationale Simulator verification workshops and code comparison publications are static snapshots of the state of numerical simulation science for greenhouse gas sequestration in deep saline geologic reservoirs. • Validation Studies for Sequestration Codes • GeoSeq Project (2001-2004) • Coal beds, deep saline formations, depleted oil and natural gas reservoirs • Problems • Mixing of stably stratified gases • Advective-diffusive mixing due to lateral density gradient • Radial flow from a CO2 injection well • CO2 discharge along a fault zone • Mineral trapping in a glauconitic sandstone aquifer • Hydro-mechanical responses in the caprock and formation during CO2 injection • CO2-oil displacement and phase behavior • Institut fur Wasserbau, University of Stuttgart (2008-2010) • Deep saline formations, depleted natural gas reservoirs • Problems • CO2 plume evolution and leakage through and abandoned well • Enhanced CH4 recovery with CO2 storage in gas reservoirs • Estimation of the CO2 storage capacity of a geological formation 2

  3. Project Team Interdisciplinary team of domain scientists and computer scientists. • Mark White • domain scientist • principal investigator, validation suite, code diagnostics • KC Carroll • domain scientist • validation suite, observational data assembly, code execution and performance • Jyoti Phirani (post-doc) • domain scientist • validation suite, code documentation, code diagnostics, code execution • Chandrika Sivaramakrishnan • computational scientist • framework integration, code documentation, data assembly 3

  4. Project Objectives Develop a computational framework that makes validation and benchmarking a dynamic process; where, numerical solutions evolve with modeling capability advances and benchmark problem complexity evolves with growth in available field and experimental data. • Computational framework for code diagnostics and intercomparison • Suite of validation problems and solutions for internationally recognized open-source numerical simulators • Assembly and organization of observational data sets for model validation • Standardized documentation of code features, property algorithms, performance characteristics and solution schemes • Systematic accounting of disagreements among simulators for the suite of validation problems 4

  5. Project Approach Previous participation in the Las Cruces Trench unsaturated transport, Yucca Mountain nuclear repository, Hanford Site deep vadose zone transport, GeoSeq code intercomparison, and international gas hydrate code comparison activities supports the launch of this project. • Develop a computational framework that makes validation and benchmarking of numerical simulators for geologic sequestration of greenhouse gases a dynamic process. • Formation focus • Depleted oil and natural gas reservoirs (140 gigatonnes) • Coal seams (160-180 gigatonnes) • Deep saline formations (3,300-12,600 gigatonnes) • Simulator focus • FEHM, G. Zyvoloski, LANL • PLOTRAN, P. Lichtner, LANL • NUFT, J. Nitao, LLNL • TOUGH, K. Pruess, LBNL • STOMP, M. White, PNNL 5

  6. Project Approach (contd) Previous participation in the Las Cruces Trench unsaturated transport, Yucca Mountain nuclear repository, Hanford Site deep vadose zone transport, GeoSeq code intercomparison, and international gas hydrate code comparison activities supports the launch of this project. • Computational Framework for Diagnostics and Intercomparison • Suite of Validation Problems and Solutions • coupled processes, well models, wettability, multiphase chemistry, basin scales • Observational Data Sets for Model Validation • 1 kT to 10 MT • Standardized Documentation of Code Features & Characteristics • Systematic Accounting of Disagreements for Validation Problems 6

  7. Project Expected Outcomes Collaborate with the scientific community to define an appropriate initial suite of problems; develop solutions to the defined problems using an array of numerical simulators from across the scientific community; and build user framework that makes the process dynamic. • Impactful Science or New Capabilities • Dynamic simulator diagnostics and validation • Establishing the scientific standards for sequestration simulation • Presentations at National/International Meetings • GHGT-10 Numerical simulation of multiphase geochemistry • Students/Post-Docs/New Hires • Jyoti Phirani, University of Houston, thesis defense in June-July 7

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