Chemical treatments using solvents and surfactants can be used to increase the productivity of gas-condensate wells with condensate banks. CMG’s compositional simulator GEM was used to simulate such treatments to gain a better understanding of design questions such as how much treatment solution to inject and to predict the benefits of such treatments. GEM was used to simulate treatments in vertical wells with and without hydraulic fractures and also horizontal wells. However, like other commercial compositional simulators, the flash calculations used to predict the phase behavior is limited to two phases whereas a three-phase flash is needed to accurately model the complex phase behavior that occurs during and after the injection of treatment solutions. UTCOMP is a compositional simulator with three-phase flash routine and attempts were made to use it to simulate such well treatments. However, this is a very difficult problem to simulate and all previous attempts failed because of numerical problems caused by inconsistent phase labeling (so called phase flipping) and the discontinuities this causes in the relative permeability values. In this research, a new relative permeability model based on molar Gibbs free energy was developed, implemented in a compositional simulator and applied to several difficult three-phase flash problems. A new way of modeling the residual saturations was needed to ensure a continuous variation of the residual saturations from the three-phase region to the two-phase region or back and was included in the new model. The new relative permeability model was implemented in the compositional reservoir simulator UTCOMP. This new relative permeability model makes it is unnecessary to identify and track the phases. This method automatically avoids the previous phase flipping problems and thus is physically accurate as well as computationally faster due to the improved numerical performance. The new code was tested by running several difficult simulation problems including a CO2 flood with three-hydrocarbon phases and a water phase. A new framework for doing flash calculations was also developed and implemented in UTCOMP to account for the multiple roots of the cubic equation-of-state to ensure a global minimum in the Gibbs free energy by doing an exhaustive search for the minimum value for one, two and three phases. The purpose was to determine if the standard method using a Gibbs stability test followed by a flash calculation was in fact resulting in the true minimum in the Gibbs free energy. Test problems were run and the results of the standard algorithm and the exhaustive search algorithm compared. The updated UTCOMP simulator was used to understand the flow back of solvents injected in gas condensate wells as part of chemical treatments. The flow back of the solvents, a short-term process, affects how well the treatment works and has been an important design and performance question for years that could not be simulated correctly until now due to the limitations of both commercial simulators and UTCOMP. Different solvents and chase gases were simulated to gain insight into how to improve the design of the chemical treatments under different conditions. / text

Accurate phase behavior modeling of hydrocarbon and aqueous mixtures plays a critical role in simulation of compositional flow in subsurface reservoirs, such as miscible gas flooding and CO2 sequestration. As Michelsen proposed his groundbreaking works in stability test and phase split calculation, PT flash calculation has been well developed in the past four decades and become the most popular flash technique. However, as research interests move to more complicated reservoir fluids, some inherent drawbacks of PT flash formulations show up and recent researches focus on a promising alternative called VT flash calculation. In this thesis, VT flash calculation is used in place of PT flash to model phase behaviors of hydrocarbon and aqueous mixtures. A dynamical model, together with a thermodynamically stable numerical algorithm, is developed to calculate equilibrium phase amounts and compositions with/without capillary effect to simulate phase behaviors of unconventional/conventional hydrocarbon mixtures. In order to model water-containing mixtures, the cubic equation of state is replaced by the Cubic-PlusAssociation equation of state, and a salt-based Cubic-Plus-Association model is developed to calculate phase behaviors of CO2-brine systems. The combination of VT flash calculation and the salt-based Cubic-Plus-Association model accurately estimate CO2 solubility in both single- and mixed-salt solutions, and it exhibits close prediction accuracy with a more sophisticated electrolyte Cubic-Plus-Association model. At the end, the ultimate goal is to develop an efficient two-phase VT-flash compositional flow algorithm. The multilayer nonlinear elimination method is used to remove locally high nonlinearities based on the feedback of intermediate Newton solutions. To further improve the computational efficiency, a modified shadow region method is used to bypass unnecessary stability tests. Although nonlinear elimination fails to fully resolve the convergence issue, which roots in the nondifferentiable equilibrium pressure at the points of phase boundary, the number of time refinements is significantly reduced and the improved VT-flash compositional flow algorithm with multilayer nonlinear elimination method successfully simulates a number of numerical examples with and without gravity.

Phase behaviour information is essential for the development and optimization of hydrocarbon resource production, transport and refining technologies. Experimental data sets for mixtures containing heavy oil and bitumen are sparse as phase behaviour data are difficult to obtain and cost remains prohibitive for most applications. A computational tool that predicts phase behaviours reliably for mixtures containing such ill-defined components, over broad temperature, pressure and composition ranges would play a central role in the advancement of bitumen production and refining process knowledge and would have favourable impacts on the economics and environmental effects linked to the exploitation of such ill-defined hydrocarbon resources. Prior to this work, predictive computational methods were reliable for dilute mixtures of ill-defined constituents. To include a much wider range of conditions, three major challenges were addressed. The challenges include: creation of a robust and accurate numerical approach, implementation of a reliable thermodynamic model, and speciation of ill-defined constituents like Athabasca Bitumen Vacuum Residue (AVR). The first challenge was addressed by creating a novel computational approach based on a global minimization method for phase equilibrium calculations. The second challenge was tackled by proposing a thermodynamic model that combines the Peng-Robinson equation of state with group contribution and related parameter prediction methods. The speciation challenge was addressed by another research group at the University of Alberta. Pseudo components they proposed were used to assign groups and estimate thermodynamic properties. The new phase equilibrium computational tool was validated by comparing simulated phase diagrams with experimental data for mixtures containing AVR and n-alkanes. There is good qualitative and quantitative agreement between computed and experimental phase diagrams over industrially relevant ranges of compositions, pressures and temperatures. Mismatch was only observed over a limited range of compositions, temperatures and pressures. This computational breakthrough provides, for the first time, a platform for reliable phase behaviour computations with broad potential for application in the hydrocarbon resource sector. The specific computational results can be applied directly to solvent assisted recovery, paraffinic deasphalting, and distillation and refining processes for Athabasca bitumen a strategic resource for Canada. / Chemical Engineering

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