Dynamic Pore Network Modeling of Imbibition in Real Porous Media with Corner Film Flow.

Wetting films can develop in the corners of pore structures during imbibition in a strongly wetting porous medium, which may significantly influence the two-phase flow dynamics. Due to the large difference in scales between main meniscus and corner film, accurate and efficient modeling of the dynamics of corner film remains elusive. In this work, we develop a novel two-pressure dynamic pore network model incorporating the interacting capillary bundle model to analyze the competition between the main meniscus and corner film flow in real porous media. A pore network with four-point star-shaped pore bodies and throat bonds is extracted from the real porous medium based on the pore shape factor and pore cross-sectional area, which is then decomposed into several layers of sub-pore networks, where the first layer of sub-pore network simulates the main meniscus flow while the upper layers characterize the corner film flow. The two-phase flow conductance of throat bonds for different layers of sub-pore networks are determined by high-resolution two-phase lattice Boltzmann modeling, thus inherently considering the viscous coupling effect. In addition, two artificial neural network models are developed to predict the two phases' flow conductance based on the shape of the throat cross section and the fluid properties. The accuracy of the developed model is validated with a lattice Boltzmann simulation of imbibition in a strongly wetting square tube. Then the model is used to simulate imbibition in a strongly wetting sandstone porous medium, and the competition between the main meniscus and the corner film flow is analyzed. The results show that with decreasing capillary number and viscosity ratio between wetting and nonwetting fluids, the development of the wetting corner film becomes more significant.

Nanoconfinement Effect on Surface Tension: Perspectives from Molecular Potential Theory.

Liquid-vapor surface tension (ST) in nanopores attracts great attention in many industries because of the prosperity of nanoscience and nanotechnology. Here, considering the important emerging new physical phenomena induced by nanoconfinement effects, including curvature-dependent and shift-critical temperature (Tc)-dependent effects, the anomalous variation of ST in nanopores is captured from the molecular potential perspective. Furthermore, a simple analytical model is proposed to determine the ST in nanopores by correlating these two effects with an easily accessible parameter, that is, normalized pore dimension, which is the ratio of the pore radius to Lennard-Jones size parameter. The model is validated to be reliable for determining the STs of different substances both in the bulk phase as well as nanopores through comparison with the experimental results and molecular simulations. Our results show that the reduction of ST induced by the nanoconfinement effects is visible when the pore diameter is within tens of nanometers, and the reduction is more sensitive as the pore size decreases. In detail, the curvature-dependent effect is remarkable in the pores with diameters ranging from a few nanometers to tens of nanometers. Moreover, a simply generalized formula is obtained to determine the curvature-dependent effect and the Tolman length for different substances. The shift-Tc-dependent effect is not only related to the pore dimension but also depends on the temperature. As the pore size decreases, the critical temperature of confined fluids diverges significantly from the bulk values. While at high temperatures, the range of pore size impacted by the shift-Tc-dependent effect is enlarged. Additionally, the nanoconfined STs of different substances are calculated and compared. Overall, the new model captures the underlying physics behind the variation of STs in nanopores and can determine the nanoconfined STs reasonably. Moreover, the simple formulation of the model is beneficial to the practical applications in many chemical engineering processes, such as chemical separation, nucleation phenomenon, and capillary condensation.

Wettability effect on nanoconfined water flow.

Understanding and controlling the flow of water confined in nanopores has tremendous implications in theoretical studies and industrial applications. Here, we propose a simple model for the confined water flow based on the concept of effective slip, which is a linear sum of true slip, depending on a contact angle, and apparent slip, caused by a spatial variation of the confined water viscosity as a function of wettability as well as the nanopore dimension. Results from this model show that the flow capacity of confined water is 10-1∼107 times that calculated by the no-slip Hagen-Poiseuille equation for nanopores with various contact angles and dimensions, in agreement with the majority of 53 different study cases from the literature. This work further sheds light on a controversy over an increase or decrease in flow capacity from molecular dynamics simulations and experiments.

Ultrahigh Water Flow Enhancement by Optimizing Nanopore Chemistry and Geometry.

The high permeability of nanoporous membranes is crucial for separation processes and energy conversions, especially for the world today that is facing growing water scarcity and energy demands. Unfortunately, further improving permeability, without sacrificing the required selectivity for specific applications, is still extremely challenging. Here, we shed light on the mechanisms of extremely high water permeability of artificial nanopores with the aquaporin-inspired pore geometry and propose a simple yet practical optimization strategy by using computational research to relate nanopore chemistry and geometry to permeability performance. We demonstrated that an ultrahigh water flow enhancement, up to 7 orders of magnitude, can be achieved by optimizing the combination of chemical and geometrical parameters of bioinspired artificial nanopores. Moreover, we addressed an existing debate over the water flow enhancement spanning over 10-1 to 105, attributed to the huge differences in chemical and geometrical properties. Our work provides a guideline to the design and optimization of nanofluidic devices with excellent performance.

Manipulating the Flow of Nanoconfined Water by Temperature Stimulation.

The manipulation of a nanoconfined fluid flow is a great challenge and is critical in both fundamental research and practical applications. Compared with chemical or biochemical stimulation, the use of temperature as controllable, physical stimulation possesses huge advantages, such as low cost, easy operation, reversibility, and no contamination. We demonstrate an elegant, simple strategy by which temperature stimulation can readily manipulate the nanoconfined water flow by tuning interfacial and viscous resistances. We show that with an increase in temperature, the water fluidity is decreased in hydrophilic nanopores, whereas it is enhanced by at least four orders of magnitude in hydrophobic nanopores, especially in carbon nanotubes with a controlled size and atomically smooth walls. We attribute these opposing trends to a dramatic difference in varying surface wettability that results from a small temperature variation.

The Production Splitting Method of Offshore Multilayer Combined Water Flooding Gas Wells with Gas Dissolving.

Offshore gas reservoirs are characterized by thin interlayers, high production, few wells, etc., and are often exploited by multilayer combined mining, whereas the production dynamics of multilayer gas reservoirs are very different from those of single-layer gas reservoirs. Therefore, clarifying the gas production contribution of each layer in multilayer combined gas reservoirs is an important prerequisite for analyzing the potential of gas reservoirs and realizing efficient development. In this paper, unlike the past method of evaluating the gas production contribution of each layer by using the KH attribute of the reservoir, we combined the modified B-L equation considering CO2 dissolution and the multilayer multizone seepage equation to establish a dynamic split model of the production dynamics of multilayer water-driven gas reservoirs, verified the reliability of the model through the numerical model and the results of the production well logging, quantitatively analyzed the degree of influence of each parameter on the contribution of the layered gas production, and designed the orthogonal experiments. The main controlling factors of the gas production contribution of each layer were determined. The results of the study show that (1) the main controlling factors for the gas production contribution of each layer in the early stage of WDG are, in order, permeability, thickness, outer boundary distance, porosity, CO2 content, and total gas production rate; however, the main controlling factors for the gas production contribution of each layer in the late stage of WDG are, in order, thickness, permeability, outer boundary distance, porosity, CO2 content, and total gas production rate; and the combined view shows that the permeability and thickness have the greatest influence. (2) In multilayer production, the conditions of high permeability, close gas-water boundary, poor gas content, and low CO2 content will reduce the gas production contribution of the layer with the increase of production time. (3) Compared with the results of production logging and numerical simulation, the split model can better predict the gas production of each layer, and the prediction error is no more than 10%. (4) By comparing with the numerical simulation results, the model can realize the prediction of the time of seeing water in the layer with stronger water body capability. (5) The model takes into account the effect of the CO2 content, better reflects the actual gas composition of each layer, and can improve the production prediction accuracy by up to 4%. Considering the high cost of production logging in offshore oil and gas fields, the inability of the KH method to reflect the dynamic changes of gas production in each layer, the poor application of stratified sampling to dry gas reservoirs, and other limitations, the model in this paper can be utilized to simulate the multilayer water-driven gas drive process when the energy of the water body is strong by using the geological parameters of the reservoir and the fluid parameters, and the simulation results of this model provide directions for offshore multilayer water-driven gas reservoirs to improve the recovery rate, and for plugging and regulating the water and exploiting the potential of gas wells that have seen water.

Polymer Flooding in Heterogeneous Heavy Oil Reservoirs: Experimental and Simulation Studies.

Polymer flooding (PF) in heterogeneous heavy oil reservoirs is not only closely related to polymer degradation, but also to non-Newtonian flow. In this paper, both experimental and simulation methods are combined to investigate this type of flooding. Through experiments, the degradation of polymer, rheological properties of fluids, and flow of fluids in porous media were determined. Based on the experimental results, a novel mathematical model was established, and a new PF simulator was designed, validated, and further applied to study the effects of polymer degradation, polymer solution shear thinning, and non-Newtonian flow on PF in heterogeneous heavy oil reservoirs. These experimental results demonstrated that the polymer first-order static degradation rate constant was lower than the polymer first-order dynamic degradation rate constant; the polymer solution and heavy oil were non-Newtonian fluids, with shear thinning and Bingham fluid properties, respectively; and the heavy oil threshold pressure gradient (TPG) in low-permeability porous media was higher than that in high-permeability porous media. All comparison results showed that the designed simulator was highly accurate and reliable, and could well describe both polymer degradation and non-Newtonian flow, with special emphasis on the distinction between polymer static and dynamic degradation and heavy oil TPG. Furthermore, the simulation results verified that polymer degradation, polymer solution shear thinning, and heavy oil TPG all had negative effects on the efficiency of PF in heterogeneous heavy oil reservoirs.

Effect of Displacement Pressure on Oil-Water Relative Permeability for Extra-Low-Permeability Reservoirs.

The oil-water relative permeability is an important parameter to characterize the seepage law of fluid in extra-low-permeability reservoirs, and it is of vital significance for the prediction and evaluation of the production. The pore throat size of extra-low-permeability reservoirs is relatively small, and the threshold pressure gradient and capillary pressure cannot be negligible. In this study, the oil-water relative permeability experiments with three different displacement pressures were carried out on the same core from the extra-low-permeability reservoir of Chang 4+5 formation in Ordos basin by the unsteady experimental method. The results show that the relative permeability of oil increases, while the relative permeability of water remains unchanged considering the capillary pressure and oil threshold pressure gradient compared with the JBN method. As the displacement pressure enlarges, the relative permeability of oil and water both increases; the residual oil saturation decreases, therefore the range of the two-phase flow zone is improved. Moreover, the isotonic point of water-oil relative permeability curves moves to the upper right region, and the reference permeability improves as well with the increasing pressure.

Mesoscopic method to study water flow in nanochannels with different wettability.

Molecular dynamics (MD) simulations is currently the most popular and credible tool to model water flow in nanoscale where the conventional continuum equations break down due to the dominance of fluid-surface interactions. However, current MD simulations are computationally challenging for the water flow in complex tube geometries or a network of nanopores, e.g., membrane, shale matrix, and aquaporins. We present a novel mesoscopic lattice Boltzmann method (LBM) for capturing fluctuated density distribution and a nonparabolic velocity profile of water flow through nanochannels. We incorporated molecular interactions between water and the solid inner wall into LBM formulations. Details of the molecular interactions were translated into true and apparent slippage, which were both correlated to the surface wettability, e.g., contact angle. Our proposed LBM was tested against 47 published cases of water flow through infinite-length nanochannels made of different materials and dimensions-flow rates as high as seven orders of magnitude when compared with predictions of the classical no-slip Hagen-Poiseuille (HP) flow. Using the developed LBM model, we also studied water flow through finite-length nanochannels with tube entrance and exit effects. Results were found to be in good agreement with 44 published finite-length cases in the literature. The proposed LBM model is nearly as accurate as MD simulations for a nanochannel, while being computationally efficient enough to allow implications for much larger and more complex geometrical nanostructures.

Dynamic wetting of solid-liquid-liquid system by molecular kinetic theory.

HYPOTHESIS: The mechanisms of dynamic wetting of solid-liquid-liquid (SLL) system, especially the viscosity effects of two liquids, can be investigated by the molecular kinetic theory (MKT). METHODS: The molecular kinetic theory combined with published data was used to study the roles of a fluid viscosity and a solid surface in dynamic wetting. FINDINGS: First, the MKT on dynamic wetting was introduced and its limitation was analyzed. Second, a viscosity effect and a solid surface effect were considered. The viscosity effect was divided into three parts for the first time, including two pure liquid zones and a mixing zone. Third, a coefficient activation free energy model was proposed, considering the effects of mixing liquids and a solid surface. Finally, the key parameters in the MKT and the application and validation of the coefficient activation free energy model were discussed in detail. This model can explain the energy dissipation in a vicinity of a three-phase contact-line successfully in a SLL wetting system. This work sheds light on the physical mechanisms of fluid and solid surface properties on the dynamic wetting in a SLL system.

Effect of Polymer Degradation on Polymer Flooding in Heterogeneous Reservoirs.

Polymer degradation is critical for polymer flooding because it can significantly influence the viscosity of a polymer solution, which is a dominant property for polymer enhanced oil recovery (EOR). In this work, physical experiments and numerical simulations were both used to study partially hydrolyzed polyacrylamide (HPAM) degradation and its effect on polymer flooding in heterogeneous reservoirs. First, physical experiments were conducted to determine basic physicochemical properties of the polymer, including viscosity and degradation. Notably, a novel polymer dynamic degradation experiment was recommended in the evaluation process. Then, a new mathematical model was proposed and an in-house three-dimensional (3D) two-phase polymer flooding simulator was designed to examine both polymer static and dynamic degradation. The designed simulator was validated by comparison with the simulation results obtained from commercial software and the results from the polymer flooding experiments. This simulator further investigated and validated polymer degradation and its effect. The results of the physical experiments showed that the viscosity of a polymer solution increases with an increase in polymer concentration, demonstrating their underlying power law relationship. Moreover, the viscosity of a polymer solution with the same polymer concentration decreases with an increase in the shear rate, demonstrating shear thinning. Furthermore, the viscosity of a polymer solution decreased with an increase in time due to polymer degradation, exhibiting an exponential relationship. The first-order dynamic degradation rate constant of 0.0022 day-1 was greater than the first-order static degradation rate constant of 0.0017 day-1. According to the simulation results for the designed simulator, a 7.7% decrease in oil recovery, after a cumulative injection volume of 1.67 pore volume (PV) was observed between the first-order dynamic degradation rate constants of 0 and 0.1 day-1, which indicates that polymer degradation has a detrimental effect on polymer flooding efficiency.

Effect of Non-Newtonian Flow on Polymer Flooding in Heavy Oil Reservoirs.

The flow of polymer solution and heavy oil in porous media is critical for polymer flooding in heavy oil reservoirs because it significantly determines the polymer enhanced oil recovery (EOR) and polymer flooding efficiency in heavy oil reservoirs. In this paper, physical experiments and numerical simulations were both applied to investigate the flow of partially hydrolyzed polyacrylamide (HPAM) solution and heavy oil, and their effects on polymer flooding in heavy oil reservoirs. First, physical experiments determined the rheology of the polymer solution and heavy oil and their flow in porous media. Then, a new mathematical model was proposed, and an in-house three-dimensional (3D) two-phase polymer flooding simulator was designed considering the non-Newtonian flow. The designed simulator was validated by comparing its results with those obtained from commercial software and typical polymer flooding experiments. The developed simulator was further applied to investigate the non-Newtonian flow in polymer flooding. The experimental results demonstrated that the flow behavior index of the polymer solution is 0.3655, showing a shear thinning; and heavy oil is a type of Bingham fluid that overcomes a threshold pressure gradient (TPG) to flow in porous media. Furthermore, the validation of the designed simulator was confirmed to possess high accuracy and reliability. According to its simulation results, the decreases of 1.66% and 2.49% in oil recovery are caused by the difference between 0.18 and 1 in the polymer solution flow behavior indexes of the pure polymer flooding (PPF) and typical polymer flooding (TPF), respectively. Moreover, for heavy oil, considering a TPG of 20 times greater than its original value, the oil recoveries of PPF and TPF are reduced by 0.01% and 5.77%, respectively. Furthermore, the combined effect of shear thinning and a threshold pressure gradient results in a greater decrease in oil recovery, with 1.74% and 8.35% for PPF and TPF, respectively. Thus, the non-Newtonian flow has a hugely adverse impact on the performance of polymer flooding in heavy oil reservoirs.

Methane storage in nanoporous material at supercritical temperature over a wide range of pressures.

The methane storage behavior in nanoporous material is significantly different from that of a bulk phase, and has a fundamental role in methane extraction from shale and its storage for vehicular applications. Here we show that the behavior and mechanisms of the methane storage are mainly dominated by the ratio of the interaction between methane molecules and nanopores walls to the methane intermolecular interaction, and a geometric constraint. By linking the macroscopic properties of the methane storage to the microscopic properties of a system of methane molecules-nanopores walls, we develop an equation of state for methane at supercritical temperature over a wide range of pressures. Molecular dynamic simulation data demonstrates that this equation is able to relate very well the methane storage behavior with each of the key physical parameters, including a pore size and shape and wall chemistry and roughness. Moreover, this equation only requires one fitted parameter, and is simple, reliable and powerful in application.