Thermodynamics, static properties and transport behaviour of fluids with competing interactions

Competing interaction fluids have become ideal model systems to study a large number of phenomena, for example, the formation of intermediate range order structures, condensed phases not seen in fluids driven by purely attractive or repulsive forces, the onset of particle aggregation under in- and out-of-equilibrium conditions, which results in the birth of reversible and irreversible aggregates or clusters whose topology and morphology depend additionally on the thermodynamic constrictions, and a particle dynamics that has a strong influence on the transport behaviour and rheological properties of the fluid. In this contribution, we study a system of particles interacting through a potential composed by a continuous succession of a short-ranged square-well, an intermediate-ranged square-shoulder and a long-ranged square-well. This potential model is chosen to systematically analyse the contribution of every component of the interaction potential on the phase behaviour, the microstructure, the morphology of the resulting aggregates and the transport phenomena of fluids described by competing interactions. Our results indicate that the inclusion of a barrier and a second well leads to new and interesting effects, which in addition result in variations of the physical properties associated to the competition among interactions.

A DFTB-Based Molecular Dynamics Investigation of an Explicitly Solvated Anatase Nanoparticle

We performed a self-consistent charge density functional tight-binding molecular dynamics (SCC DFTB-MD) simulation of an explicitly solvated anatase nanoparticle. From the 2 ps trajectory, we were able to calculate both dynamic and static properties, such as the energies of interaction and the formation of water layers at the surface, and compare them to the observed behaviour reported elsewhere. The high degree of agreement between our simulation and other sources, and the additional information gained from employing this methodology, highlights the oft-overlooked viability of DFTB-based methods for electronic structure calculations of large systems.

Stab resistance of flexible composite reinforced with warp-knitted fabric like scale structure at quasi-static loading

The stab-resistant fabric like scale structure has a promising application prospect for areas of stab prevention owing to its great flexibility and excellent stab-resistance performance. In this paper, a kind of novel stab-resistant fabric has been designed by coating with epoxy resin (ER) and silicon carbide (SiC) particles, which was based on the warp-knitted fabric like scale structure (WKFS). The uniformity of dispersion has been investigated with different diameter and mass fraction of SiC, and polymerization degree of polyglycols (PEG); the flexibility and quasi-static properties of different kinds of WKFS treated with different coating solution has been studied, and the coating solution was prepared by mixing SiC particles and ER at different ratios. The results showed that the dispersion uniformity of the dispersion was the best when the diameter of SiC is 1 μm, the content is 50%, and the polymerization degree of PEG is 600. The longitudinal flexibility of the stab-resistant fabric is greater than that of transverse due to the gap between the longitudinal scales, and the addition of SiC particles can increase the transverse and longitudinal flexibility of stab-resistant fabric, and the flexible properties were the greatest when SiC:ER = 50:30. In addition, the WKFS treated with SiC of 16.7% has fatigue resistance; the damage mechanism of the fabric treated with pure ER is thankful to the brittleness of the resin; the added SiC particles hinder the further crack propagation of the resin, and the failure mode is mainly in stretch.

Pricing and hedging bond options and sinking-fund bonds under the CIR model

<abstract><p>This article derives simple closed-form solutions for computing Greeks of zero-coupon and coupon-bearing bond options under the CIR interest rate model, which are shown to be accurate, easy to implement, and computationally highly efficient. These novel analytical solutions allow us to extend the literature in two other directions. First, the static hedging portfolio approach is used for pricing and hedging American-style plain-vanilla zero-coupon bond options under the CIR model. Second, we derive analytically the comparative static properties of sinking-fund bonds under the same interest rate modeling setup.</p></abstract>

Carbonate reservoir rock typing algorithm based on integrated approach (IRT)

The goal of carbonate rock typing is a realistic distribution of well data in a 3D model and the distribution of the corresponding rock types, on which the volume of hydrocarbon reserves and the dynamic characteristics of the flow will depend. Common rock typing approaches for carbonate rocks are based on texture, pore classification, electrofacies, or flow unit localization (FZI) and are often misleading because they based on sedimentation processes or mathematical justification. As a result, the identified rock types may poorly reflect the real distribution of reservoir rock characteristics. Materials and methods. The approach described in the work allows to eliminate such effects by identifying integrated rock types that control the static properties and dynamic behavior of the reservoir, while optimally linking with geological characteristics (diagenetic transformations, sedimentation features, as well as their union effect) and petrophysical characteristics (reservoir properties, relationship between the porosity and permeability, water saturation, radius of pore channels and others). The integrated algorithm consists of 8 steps, allowing the output to obtain rock-types in the maximum possible way connecting together all the characteristics of the rock, available initial information. The first test in the Middle East field confirmed the applicability of this technique. Results. The result of the work was the creation of a software product (certificate of state registration of the computer program “Lucia”, registration number 2021612075 dated 02/11/2021), which allows automating the process of identifying rock types in order to quickly select the most optimal method, as well as the possibility of their integration. As part of the product, machine learning technologies were introduced to predict rock types based on well logs in intervals not covered by coring studies, as well as in wells in which there is no coring.

Effect of Bentonite Content and Hydration Time on Mechanical Properties of Sand–Bentonite Mixture

The bentonite is commonly used mixed with soils for groundwater retention and waste contaminant facilities. The incorporation of bentonite could significantly reduce hydraulic conductivity. In this study, the effects of bentonite content, hydration time and effective confining pressure on the static properties of a sand–bentonite mixture were studied using experimental and numerical methods. Firstly, a large number of drainage static triaxial tests on the sand–bentonite mixture with various bentonite contents were conducted. The test results show that the increase in bentonite content and hydration time leads to a slight decrease in shear strength and initial tangent modulus of the sand–bentonite mixture. The presence of bentonite reduces the shear shrinkage and dilatancy trend of the mixture. The cohesion of the mixture increases with the increase in bentonite content and hydration time, but the internal friction angle decreases correspondingly. The hydration of bentonite on the surface of sand particles changes the contact form between particles. The bentonite slurry between pores of the sand skeleton also affects the mechanical behavior of the sand–bentonite mixture. Then, a series of 3D discrete element models were established for numerical simulations of drainage static triaxial tests. The numerical model parameters were calibrated by experimental results. The meso-mechanism of bentonite content affecting the mechanical behavior was revealed according to the contact force distribution between particles. The research results are helpful to understand further the mechanism of bentonite on the mechanical properties of the sand–bentonite mixture.

Experimental Quantification of the Evolution of the Static Mechanical Properties of Tight Sedimentary Rocks during Increasing-amplitude Load and Unload Cycling

Understanding the linearly and nonlinearly elastic behaviors of tight reservoir rocks is crucial for numerous geophysical and geomechanical applications in hydrocarbon exploration and production, geological repositories for greenhouse gases, and geothermal energy exploitation. We perform a suite of triaxial load and unload cycling tests with increasing stress amplitudes on three tight sedimentary rocks to explore the evolution of their static mechanical properties (Young’s modulus and Poisson’s ratio). We intend to depict the transition from linear to nonlinear elasticity by combining static measurements with dynamic measurements. The experimental results suggest that static mechanical properties increase upon load stress cycling but decrease upon unload stress cycling. Upon the increasing-amplitude unload cycling, static mechanical properties gradually decrease from values approaching dynamic properties to values closer to static properties upon load cycling. By quadratically fitting the static mechanical properties as functions of the strain amplitude in the process of unload cycling, we define a characteristic strain amplitude of about 5 × 10−5 to distinguish the linearly elasticity-dominated and nonlinearly elasticity-dominated behaviors for three tight rocks. Such transitional behavior in tight sedimentary rocks can be microscopically explained by the gradual activation of friction-controlled sliding from the beginning of the cyclic stress unload. These observations provide direct experimental evidence of the transition from linear to nonlinear elasticity for tight sedimentary rocks during the laboratory static measurements, which will facilitate understanding of the dynamic-static parameter correlation and the modeling of rock deformations in geoscience or geoengineering applications.

Autonomous Outflow Control Technology AOCD in New Water/Polymer Injectors in Heavy Oil Fields from South Sultanate of Oman

Several techniques have been applied to improve fluid conformance of injection wells to increase water flooding performance and eventually field oil recovery. Normal outflow control devices (OCDs) are effective solutions for this problem in reservoirs with static properties, however, they fail in reservoirs with complex/dynamic properties including fractures. There, the continuously increasing contrast in the injectivity of a section with the fractures compared to the rest of the well causes diverting a great portion of the injected fluid into the thief zone thus creating short-circuit to the nearby producer wells. This paper summarizes the integrated technical learnings from the successful application of the installation of the first Autonomous Outflow Control (AOCD) technology in a new long horizontal injector well. It shows the result of extending this technology to other injectors in both water and polymer phases in the field, it details the facts and observations and the insights the multidisciplinary authors have captured. This autonomously reactive control on the injection fluid conformance resulted in an increased sweep and ultimate oil recovery while reducing the total volume of injected fluid.