A multi-scale reservoir simulation framework for large-scale, multiphase flow with mineral precipitation in CO₂-brine systems is proposed. The novel aspects of this reservoir modeling and simulation framework are centered around the seminal coupling of rigorous reactive transport with full compositional modeling and consist of (1) thermal, multi-phase flow tightly coupled to complex phase behavior, (2) the use of the Gibbs-Helmholtz Constrained (GHC) equation of state, (3) the presence of multiple homogeneous/heterogeneous chemical reactions, (4) the inclusion of mineral precipitation/dissolution, and (5) the presence of homogeneous/heterogeneous formations. The proposed modeling and simulation framework is implemented using the ADGPRS/GFLASH system. A number of examples relevant to CO₂ sequestration including salt precipitation and solubility/mineral trapping are presented and geometric illustrations are used to elucidate key attributes of the proposed modeling framework.

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Fully compositional and thermal reservoir simulation capabilities are important in oil exploration and production. There are significant resources in existing wells and in heavy oil, oil sands, and deep-water reservoirs. This article has two main goals: (1) to clearly identify chemical engineering sub-problems within reservoir simulation that the PSE community can potentially make contributions to and (2) to describe a new computational framework for fully compositional and thermal reservoir simulation based on a combination of the Automatic Differentiation-General Purpose Research Simulator (AD-GPRS) and the multiphase equilibrium flash library (GFLASH). Numerical results for several chemical engineering sub-problems and reservoir simulations for two EOR applications are presented. Reservoir simulation results clearly show that the Solvent Thermal Resources Innovation Process (STRIP) outperforms conventional steam injection using two important metrics - sweep efficiency and oil recovery.

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Primary oil recovery methods in Saskatchewan's heavy oil basin extract 5 to 10% of the available resource with the vast majority left in the ground and recoverable only through Enhanced Oil Recovery (EOR) methods. Traditional EOR generates steam in surface facilities and injects it underground to mobilize the oil for production with considerable energy losses inherent in the process. R.I.I. North America's Solvent Thermal Resource Innovation Process (STRIP) technology moves the steam generator underground, reducing the operating and capital costs of a surface thermal production facility by 30% and 50% respectively, and saving more than 30% of the energy typically required for thermal production. STRIP technology combusts methane to produce in situ CO 2 and steam. Because CO2 acts as a co-solvent, STRIP outperforms traditional steam-injection technology. This is demonstrated using a breakthrough modeling technique that couples fully compositional and thermal reservoir flow simulation capabilities. This new approach couples FlashPoint's equation-of-state solver for the multiphase, multi-component, isothermal, isobaric flash problem, GFLASH, with Stanford's Automatic Differentiation General Purpose Research Simulator for thermal reservoir flow simulations. This new computational framework exploits advanced techniques for skipping phase-identification computations and only uses exact phase equilibria from GFLASH when needed, reducing computational times by one to two orders of magnitude compared to the full rigorous solution.@en