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TMVOC is designed for studying subsurface contamination by volatile organic compounds (VOCs), such as hydrocarbon fuels and industrial solvents. It can model the one-, two-, or three-dimensional migration of non-aqueous phase liquids (NAPLs) through the unsaturated and saturated zones, the formation of an oil lens on the water table, the dissolution and subsequent transport of VOCs in groundwater, as well as the vaporization and migration of VOCs in the interstitial air of the unsaturated zone, and the reversible sorption of VOCs on the rock matrix of a porous medium. TMVOC accounts for differences in aqueous solubility and volatility of different VOCs that may be present in a NAPL. Thermal remediation treatments such as steam injection or electric resistance heating and associated phase change and flow effects can also be modeled. A simple half-life model for biodegradation is included as well.In the TMVOC formulation, the flow system is assumed to be composed of water, noncondensible gases (NCGs), and volatile organic chemicals (VOCs). Mass transport occurs through multiphase advection and diffusion. There are no intrinsic limitations to the number of NCGs or VOCs. The necessary thermophysical and transport properties are computed by means of a very general thermodynamic formulation, which uses semi-empirical corresponding states methods. Any and all phase compositions in a gas-water-NAPL system are treated, including single, two-phase, and three-phase conditions (Fig. 1).TMVOC is written in Fortran 77 and can be run on any platform for which a Fortran 77 compiler is available, including PCs. The code is implemented as a specialized module in the framework of the multi-purpose simulator TOUGH2, and retains the general process capabilities and user features of TOUGH2, including applicability to heterogeneous 3-D systems (Pruess,

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DISCLATMERThis document was prcparcd as M account of w o k sponsored by the US& Stam G o v u n m a r While this document is belicvd IO ABSTRACTT2VOC is a numerical simulator for three-phase, three-component, non-isothermal flow of water, air, and a volatile organic compound (VOC) in multidimensional heterogeneous porous media. Developed at the Lawrence Berkeley Laboratory, T2VOC is an extension of the TOUGH2 general-purpose simulation program.This report is a self-contained guide to application of T2VOC to subsurface contamination problems involving nonaqueous phase liquids (NAPLs). It gives a technical description of the T2VOC code, including a discussion of the physical processes modeled, and the mathematical and numerical methods used. Detailed instructions for preparing input data are presented along with several illustrative sample problems.

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Dolomitization of a carbonate platform can occur at different times and in different diagenetic environments, from synsedimentary to deep burial settings. Numerical simulations are valuable tools to test and select the model that, among different hypotheses compatible with field and geochemical data, best honour mass balance, kinetic and thermodynamic constraints. Moreover, the simulation can predict the distribution of the dolomitized bodies in the subsurface and evaluate porosity changes; valuable information for the oil industry. This study is the first attempt to reproduce and investigate the compaction dolomitization model. The diagenetic study of the Jurassic carbonate basin and palaeohigh system of the Po Plain indicates that the carbonates of the palaeohighs were dolomitized by basin compaction fluids. The main goal of the simulations is to evaluate the origin and evolution of the dolomitizing fluids and to provide insights regarding the distribution of the potential reservoir-dolomitized bodies in the Po Plain. The modelling process is subdivided into two steps: basin modelling and reactive transport modelling. The SEBE3 basin simulator (Eni proprietary) was used to create a three-dimensional model of the compacting system. The results include compaction fluid flow rate from the basin to the palaeohigh, compaction duration and a determination of the total amount of fluid introduced into the palaeohigh. These data are then used to perform reactive transport modelling with the TOUGHREACT code. Sensitivities on dolomite kinetic parameters suggest that dolomitization was an efficient process even at low temperatures, with differences mainly related to the dynamics of the process. Fluid composition is one of the main constraints, the sea water derived compaction fluid is proven to be efficient for dolomitization due to its relatively high Mg content. Simulations also confirmed that permeability is the most important factor influencing fluid flow and, consequently, the dolomite distribution in the formation. Permeable fractured zones have a strong influence, diverting the dolomitizing fluids from their normal path towards overlying or lateral zones. Moreover, the simulations showed that, after dolomite replacement is complete, the dolomitizing fluids can precipitate dolomite cement, causing over-dolomitization, with related localized plugging effects in the zone of influx. Mass balance calculations indicate that in the dolomitization compaction model, the amount of compaction water fluxed from the basin to the carbonate is the main constraint on dolomitization efficiency. This observation implies that the ratio between the volume of the basin undergoing compaction 209 and the volume of the palaeohigh is a limiting factor on the final size of the dolomitized bodies. An isolated palaeohigh could be an ideal site for pervasive replacement dolomitization due to the large volume of compaction fluids available compared with the carbonate rock volume. In the case of large platforms, the more permeable margin lithofac...

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