Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.

Modeling Materials: Continuum, Atomistic and Multiscale Techniques

This paper presents the results of imbibition tests using a reservoir crude oil and a reservoir brine solution with a high salinity and a suitable nanofluid that displaces crude oil from Berea sandstone (water-wet) and single-glass capillaries. The Illinois Institute of Technology (IIT) nanofluid is specially formulated to survive in a high-salinity environment and is found to result in an efficiency of 50% for Berea sandstone, compared to 17% using the brine alone at a reservoir temperature of 55 °C. We also present a direct visual evidence of the underlying mechanism based on the structural disjoining pressure for the crude oil displacement using IIT nanofluid from the solid substrate in high-salinity brine. These results aid our understanding of the role of the nanofluid in displacing crude oil from the rock, especially in a high-salinity environment containing Ca2+ and Mg2+ ions. Results are also reported using Berea sandstone and a nanofluid containing silica nanoparticles.

Enhanced Oil Recovery (EOR) Using Nanoparticle Dispersions: Underlying Mechanism and Imbibition Experiments

Despite the progress made on renewable energy, oil and gas remains the world’s primary energy source. Meanwhile, large amounts of oil deposits remain unrecovered after application of traditional oil recovery methods. Chemical enhanced oil recovery (EOR) has been adjudged as an efficient oil recovery technique to recover bypassed oil and residual oil trapped in the reservoir. This EOR method relies on the injection of chemicals to boost oil recovery. In this overview, an up-to-date synopsis of chemical EOR with detailed explanation of the chemicals used, and the mechanism governing their oil recovery application have been discussed. Challenges encountered in the application of the various conventional chemical EOR methods were highlighted, and solutions to overcome the challenges were proffered. Besides, the recent trend of incorporating nanotechnology and their synergistic effects on conventional chemicals stability and efficiency for EOR were also explored and analysed. Finally, laboratory results and field projects were outlined. The review of experimental studies shows that pore-scale mechanisms of conventional chemical EOR is enhanced by incorporating nanotechnology, hence, resulted in higher efficiency. Moreover, the use of ionic liquid chemicals and novel alkaline–cosolvent–polymer technology shows good potentials. This overview presents an extensive information about chemical EOR applications for sustainable energy production.

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An overview of chemical enhanced oil recovery: recent advances and prospects

The wetting and spreading behavior of pure liquids over solid surfaces changes if liquids contain nanosized spherical particles or surfactant micelles, globular proteins and macromolecules. Recent studies on the spreading of nanofluids have demonstrated the inadequacy of well-known concepts of the spreading and adhesion of pure liquids on solid surfaces in understanding nanofluid spreading behavior. This paper reviews the progress made in the wetting and spreading of nanofluids over solid surfaces with an emphasis on the complex interactions between the particles in the nanofluid and with the solid substrate, as well as the spreading of thin nanofluid films containing nanoparticles on hydrophilic surfaces driven by the structural disjoining pressure gradient. The spreading droplet advances as a series of distinct nanoparticle layers.

The wetting and spreading of nanofluids on solids: Role of the structural disjoining pressure

Nanofluids have been recently proposed as new chemical agents for enhanced oil recovery from oil reservoirs. Various nanofluids have been studied in that regard and reported in the literature, verifying the capability of nanostructured materials in enhancing the oil recovery through alteration of rock wettability. In this study, the impacts of different nanofluids of zirconium dioxide (ZrO2), calcium carbonate (CaCO3), titanium dioxide (TiO2), silicon dioxide (SiO2), magnesium oxide (MgO), aluminum oxide (Al2O3), cerium oxide (CeO2), and carbon nanotube (CNT) on the wettability of carbonate rocks were investigated. A series of preliminary contact angle evaluations were performed to screen the nanoparticles. The performances of the selected nanofluids were evaluated by spontaneous imbibition and core flooding experiments. Results of spontaneous imbibition tests and coreflooding experiments confirm the active roles of CaCO3 and SiO2 nanoparticles for enhancing oil recovery. In addition, the effect of nanofl...

Comparative Study of Using Nanoparticles for Enhanced Oil Recovery: Wettability Alteration of Carbonate Rocks

The wetting and spreading of nanofluids composed of liquid suspensions of nanoparticles have significant technological applications. Recent studies have revealed that, compared to the spreading of base liquids without nanoparticles, the spreading of wetting nanofluids on solid surfaces is enhanced by the structural disjoining pressure. Here, we present our experimental observations and the results of the statics analysis based on the augmented Laplace equation (which takes into account the contribution of the structural disjoining pressure) on the effects of the nanoparticle concentration, nanoparticle size, contact angle, and drop size (i.e., the capillary and hydrostatic pressure); we examined the effects on the displacement of the drop-meniscus profile and spontaneous spreading of a nanofluid as a film on a solid surface. Our analyses indicate that a suitable combination of the nanoparticle concentration, nanoparticle size, contact angle, and capillary pressure can result not only in the displacement of the three-phase contact line but also in the spontaneous spreading of the nanofluid as a film on a solid surface. We show here, for the first time, that the complete wetting and spontaneous spreading of the nanofluid as a film driven by the structural disjoining pressure gradient (arising due to the nanoparticle ordering in the confined wedge film) is possible by decreasing the nanoparticle size and the interfacial tension, even at a nonzero equilibrium contact angle. Experiments were conducted on the spreading of a nanofluid composed of 5, 10, 12.5, and 20 vol % silica suspensions of 20 nm (geometric diameter) particles. A drop of canola oil was placed underneath the glass surface surrounded by the nanofluid, and the spreading of the nanofluid was monitored using an advanced optical technique. The effect of an electrolyte, such as sodium chloride, on the nanofluid spreading phenomena was also explored. On the basis of the experimental results, we can conclude that a nanofluid with an effective particle size (including the electrical double layer) of about 40 nm, a low equilibrium contact angle ( 30 vol %) is desirable for the dynamic spreading of a nanofluid system with an interfacial tension of 0.5 mN/m. Our experimental observations also validate the major predications of our theoretical analysis.

Wetting and spreading of nanofluids on solid surfaces driven by the structural disjoining pressure: statics analysis and experiments.

Wettability of Berea and low permeability reservoir rocks are permanently altered from liquid-wetting to intermediate gas-wetting. We use water and decane as model liquid, and air and nitrogen as model gas in the experiments. New chemicals with various functional groups are used in the wettability alteration. We perform compositional analyses of the treated chemical solutions extracted from rock treatment by gas chromatography–mass spectrometry (GCMS) and by inductively coupled plasma-mass spectrometry (ICPMS). The analyses demonstrate reaction between the chemicals and the rock substrate. There is no measurable change in permeability from the chemical reaction for the low molecular weight chemicals. The results reveal the permanent alteration of wettability. Tests are conducted to measure contact angle, spontaneous imbibition, and flow to assess the effect of wettability alteration on flow performance as a function of chemical concentration and functionality. For Berea, the contact angle for the water–air–rock is altered from 0° to ~150° depending on the chemical concentration. For the reservoir rock, the contact angle is altered from ~70° to ~130°. As a result of the treatment, the water flow rate may increase two and a half times for a given pressure drop in the Berea. The permanent alteration of wettability with the new chemicals is intended for prevention of water blocking in gas production from tight reservoirs. Instead of hydraulic fracturing when water is introduced in formations with most of the water retained by the water-wet rocks, one may use the new chemical surfactants in fracturing to avoid water retention for high gas well productivity.

Permanent Alteration of Porous Media Wettability from Liquid-Wetting to Intermediate Gas-Wetting

Summary The effect of salinity on the alteration of wettability from waterwetting to intermediate gas-wetting is studied in this work. We find that NaCl salinity increases water-wetting when a core is saturated with brine. NaCl also reduces gas absolute permeability, as reported in the literature. CaCl2 salinity effect is dramatically different from that of NaCl brine and has a minor effect on permeability. The NaCl, KCl, and CaCl2 brines have an adverse effect on wettability alteration. To alleviate the effect of salt on chemical treatment, we suggest pretreatment by displacement of brine with water and subsequent drainage by nitrogen.

Effect of Salinity on Wettability Alteration to Intermediate Gas-Wetting

Cleansing dynamics of oily soil using nanofluids.

The alteration of the wettability from liquid-wetting to intermediate gas-wetting results in improved liquid mobility, which has been demonstrated by a number of authors in recent years. In this work, we show that the gas-phase mobility may either increase or decrease in the state of intermediate gas-wetting. The increase or decrease in the gas-phase mobility is a function of the minimum liquid saturation. We also confirm that, as a result of the wettability alteration, there may be a substantial decrease in the two-phase high-velocity coefficient compared to the unaltered wettability state. The increase in the gas- and liquid-phase relative permeabilities and a decrease in the high-velocity coefficient of the two-phase flow from the wettability alteration contribute to improved gas well productivity.

Stanley Wu

Papers

Wetting and spreading of nanofluids on solid surfaces driven by the structural disjoining pressure: statics analysis and experiments.

Permanent Alteration of Porous Media Wettability from Liquid-Wetting to Intermediate Gas-Wetting

Effect of Salinity on Wettability Alteration to Intermediate Gas-Wetting

Cleansing dynamics of oily soil using nanofluids.

Simultaneous Increase in Gas and Liquid Relative Permeabilities and Reduction of High-Velocity Coefficient From Wettability Alteration