Global Optimization Model for Chemical Containment and Remediation Systems

The contamination of groundwater poses widespread environmental problems. Subsurface simulation models provide planners with quantitative techniques for analyzing alternative groundwater management strategies and monitoring network design. Recently, several optimization management models, combining simulation models with optimization methods, have been developed to design economical and high-performance groundwater remediation strategies or/and monitoring networks. However, the optimization-simulation codes currently available have limited capability to: (1) model complex subsurface flow and transport processes; (2) find global solutions in situations of discontinuous objective function; (3) handle site-specific, complex constraint conditions; (4) utilize large-scale models that assimilate high-resolution site data; and (5) obtain solutions efficiently by taking advantage of the high performance computers and personal computer clusters. This project will enhance the current inverse modeling code, iTOUGH2, by implementing a wide selection of robust global non-linear optimization methods, parallelizing the code for high performance computers and personal computer clusters, and implementing methods to impose constraints conditions. The enhanced iTOUGH2 code will be used to efficiently optimize the design, operation, and monitoring of complex engineering projects in a variety of subsurface applications, such as groundwater and vadose-zone numerical flow and transport models and subsurface repository problems. It will enable the best utilization of resources and unbiased comparison of alternatives for any decision-making process that involves management of subsurface systems. Commercial Applications and other Benefits as described by the awardee: The enhanced iTOUGH2 code should enable improved prediction of future impacts related to the design and operation of remedial systems and long-term monitoring systems for groundwater contamination. The potential product is likely to attract a significant market, because of the many thousands of contaminated groundwater sites that exist across the U.S. and the world.