STOMP Subsurface Transport Over Multiple Phases, Version 4.0, User?s Guide

Abstract

In STOMP V4.0, a separate mode containing an evaporation model as a boundary condition on the upper surface of the computation domain has been included. This mode, STOMP-WAE-B (Water-Air-Energy-Barriers) can be viewed as an extension of the STOMP-WAE (Water-Air-Energy) mode. The extension provides the needed scientific tool to design and evaluate barriers. The model calculates water mass, air mass, and thermal energy across a boundary surface and water transport between the subsurface v and atmosphere. The STOMP-WAE-B addendum (Ward et al. 2005) provides a detailed description of this mode. This version of STOMP includes the recently Pacific Northwest National Laboratory developed batch geochemistry solution module ECKEChem (Equilibrium-Conservation-Kinetic Equation Chemistry). The ECKEChem batch chemistry module was developed in a fashion that would allow its implementation into all operational modes of the STOMP simulator, making it a more versatile chemistry component. Additionally, this approach allows for verification of the ECKEChem module against more classical reactive transport problems involving aqueous systems. Currently, the ECKEChem package has been implemented in the STOMP-W-R and STOMP-WCS-R modes. The fundamental objective in developing the ECKEChem module was to embody a systematic procedure for converting geochemical systems for mixed equilibrium and kinetic reactions into a system of non-linear equations. This objective has been realized through a recently developed general paradigm for modeling reactive chemicals in batch systems, which has been coded into a preprocessor for BIOGEOCHEM. To couple this processor to the STOMP simulator a conversion program, BioGeoChemTo, was written in Perl that reads the preprocessor output and converts it into STOMP simulator input format. Details of the ECKEChem module can be found in White and McGrail (2005). A third major addition to this version of the simulator is the potential to conduct parallel simulations. These versions of the simulator are written in pure FORTRAN 90 with imbedded directives that are interpreted by a FORTRAN preprocessor. vi This work was partly supported by the Remediation and Closure Science Project funded through the U.S. Department of Energy's (DOE's) Richland Operations Office. The continued development of the STOMP simulator in its sequential and parallel implementations has been funded by the Laboratory (PNNL) Directed Research and Development (LDRD) program at the PNNL. In particular, development of a scalable implementation has been funded through the Computational Science and Engineering Initiative and development of new operational modes for modeling carbon dioxide sequestration has been supported through the Carbon Management Initiative. The LDRD at the PNNL is a productive and efficient program that develops technical capabilities for solving complex technical problems that are important to DOE and to the nation. DOE Order 413.2A sets forth the DOE's LDRD policy and guidelines for DOE multiprogram laboratories and author...

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration.

“…Relevant multiphysics codes for the Waste IPSC evaluations include TOUGHREACT (Xu et al 2004), FEHM (Dash 2006), STOMP (White and Oostrom 2006) and SIERRA (Edwards 2002).…”

“…Multiphysics codes with relevant thermal-hydrologic capabilities include TOUGH2 (Pruess 1999), STOMP (White and Oostrom 2006), PorSalsa (Martinez et al 2001), FEHM (Dash 2006), and SIERRA (Edwards 2002). These codes as they pertain to the Waste IPSC are discussed in Section 4.3 and Appendix A.…”

“…Governing transport equations are PDEs for the conservation of solute mass. Solute mass conservation governing equations are solved sequentially, following the solution of the coupled flow equations (White and Oostrom 2006).…”

Remedial Amendment Delivery Near the Water Table Using Shear Thinning Fluids: Experiments and Numerical Simulations

“…The water operational mode of the STOMP (Subsurface Transport Over Multiple Phases) simulator (White and Oostrom 2006) with sequential electrolyte and solute transport was used to model the experiments. The applicable governing equations are the component conservation equations for water flow, electrolyte (xanthan) transport, and solute (bromide and phosphate) transport in the aqueous phase Schroth et al 2001).…”

“…Besides flow visualization, amendment concentration and fluid pressure data were obtained to study emplacement of the STF. The main objectives of the study were to (1) investigate the potential of enhanced remedial-amendment delivery with STF for near-water table emplacement, and (2) test and verify the STOMP simulator (White and Oostrom 2006) for xanthan polymer shear-thinning behavior in variably saturated systems.…”