Selective Fabrication of Robust and Multifunctional Super Nonwetting Surfaces by Diverse Modifications of Zirconia-Ceria Nanocomposites.

The creation of surfaces with various super nonwetting properties is an ongoing challenge. We report diverse modifications of novel synthesized zirconia-ceria nanocomposites by different low surface energy agents to fabricate nanofluids capable of regulating surface wettability of mineral substrates to achieve selective superhydrophobic, superoleophobic-superhydrophilic, and superamphiphobic conditions. Surfaces treated with these nanofluids offer self-cleaning properties and effortless rolling-off behavior with sliding angles ≤7° for several liquids with surface tensions between 26 and 72.

The Impact of the Double Cross-Phase Diffusion Mechanism on Oil Recovery during CO Injection into Fractured Rocks: A Simulation Study.

In this research, a new diffusion mechanism called "double cross-phase diffusion" is introduced and applied to simulate the non-equilibrium gas injection process into fractured rocks. This new mechanism represents additional multicomponent gas diffusion into the crude oil through the water phase, existing in porous media as initial water saturation. Therefore, a lab-scale simulator, by implementing the generalized Fick's law of multicomponent diffusion, is developed and used for predicting the experimental data of oil recovery during CO injection in chalk fractured rocks in the presence of initial water saturation.

Dissolution and remobilization of NAPL in surfactant-enhanced aquifer remediation from microscopic scale simulations.

In this paper, the dissolution and mobilization of non-aqueous phase liquid (NAPL) blobs in the Surfactant-Enhanced Aquifer Remediation (SEAR) process were upscaled using dynamic pore network modeling (PNM) of three-dimensional and unstructured networks. We considered corner flow and micro-flow mechanisms including snap-off and piston-like movement for two-phase flow. Moreover, NAPL entrapment and remobilization were evaluated using force analysis to develop the capillary desaturation curve (CDC) and predict the onset of remobilization.

Development of a Computational Fluid Dynamics Compositional Wellbore Simulator for Modeling of Asphaltene Deposition.

The asphaltene problem is a two-step process: (1) asphaltene precipitation, as predicted by the thermodynamic model, and (2) asphaltene deposition, the amount of which is estimated by the kinetic model. Asphaltene precipitation is a prerequisite but not a sufficient condition for deposition. Deposition is dependent on other factors such as surface properties, phase behavior, rheology, and flow patterns.

Atomistic insight into salinity dependent preferential binding of polar aromatics to calcite/brine interface: implications to low salinity waterflooding.

This paper resolve the salinity-dependent interactions of polar components of crude oil at calcite-brine interface in atomic resolution. Molecular dynamics simulations carried out on the present study showed that ordered water monolayers develop immediate to a calcite substrate in contact with a saline solution. Carboxylic compounds, herein represented by benzoic acid (BA), penetrate into those hydration layers and directly linking to the calcite surface.

Ion-specific interactions at calcite-brine interfaces: a nano-scale study of the surface charge development and preferential binding of polar hydrocarbons.

This research provides an atomic-level insight into the synergic contribution of mono- and divalent ions to interfacial characteristics of calcite surfaces exposed to electrolyte solution containing organic compounds. The emphasis was placed on the ionic interactions responsible for charge developing mechanisms of calcite surfaces and also the capacity for adsorption of polar hydrocarbons, represented by benzoic acid (BA), at different brine compositions. For this purpose, molecular dynamics (MD) simulations were employed to explore the interplay of the main constituent ions of natural brines (Na+, Cl-, Mg2+, and SO42-) and BA at the interface of CaCO3.

A Deep Look into the Dynamics of Saltwater Imbibition in a Calcite Nanochannel: Temperature Impacts Capillarity Regimes.

This research concerns fundamentals of spontaneous transport of saltwater (1 mol·dm NaCl solution) in nanopores of calcium carbonates. A fully atomistic model was adopted to scrutinize the temperature dependence of flow regimes during solution transport under CaCO nanoconfinement. The early time of capillary filling is inertia-dominated, and the solution penetrates with a near-planar meniscus at constant velocity.

How do ions contribute to brine-hydrophobic hydrocarbon Interfaces? An in silico study.

Hypothesis: The saltwater-oil interface is of broad implication in geochemistry and petroleum disciplines. To date, the main focus has been on the surface contribution of polar, heavy compounds of crude oil, widely neglecting the role of non-polar hydrocarbons. However, non-polar compounds are expected to contribute to characteristics of oil-brine interfaces.

Remediation of trapped DNAPL enhanced by SDS surfactant and silica nanoparticles in heterogeneous porous media: experimental data and empirical models.

The remediation of nonaqueous phase liquids (NAPLs) enhanced by surfactant and nanoparticles (NP) has been investigated in numerous studies. However, the role of NP-assisted surfactants in the dissolution process is still not well discussed. Besides, there is a lack of empirical dissolution models considering the effects of initial residual saturation S, NAPL distribution, and surfactant concentration in NAPL-aqueous phase systems.

The Impact of Salinity on the Interfacial Structuring of an Aromatic Acid at the Calcite/Brine Interface: An Atomistic View on Low Salinity Effect.

This study aims to elucidate the impact of salinity on the interactions governing the adsorption of polar aromatic oil compounds onto calcite. To this end, molecular dynamics simulations were employed to assess adsorption of a model polar organic molecule (deprotonated benzoic acid, benzoate) on the calcite surface in NaCl brines of different concentration levels, namely, deionized water (DW), low-salinity water (LS, 5000 ppm), and sea water (SW; 45,000 ppm). Calcite was found to be completely covered by several well-ordered water layers.

Experimentally based pore network modeling of NAPL dissolution process in heterogeneous porous media.

Practical designs of non-aqueous phase liquids (NAPLs) remediation strategies require reliable modeling of interphase mass transfer to predict the retraction of NAPL during processes such as dissolution. In this work, the dissolution process of NAPL during two-phase flow in heterogeneous porous media is studied using pore-network modeling and micromodel experiments. A new physical-experimental approach is proposed to enhance the prediction of the dissolution process during modeling of interphase mass transfer.