ABSTRACT
A comprehensive understanding of interfacial behavior in water/oil/surfactant systems is critical to evaluating the performance of emulsions in various industries, specifically in the oil and gas industry. To gain fundamental knowledge regarding this interfacial behavior, atomistic methods, e.g., molecular dynamics (MD) simulation, can be employed; however, MD simulation cannot handle phenomena that require more than a million atoms. The coarse-grained mesoscale methods were introduced to resolve this issue. One of the most effective mesoscale coarse-grained approaches for simulating colloidal systems is dissipative particle dynamics (DPD), which bridges the gap between macroscopic time and length scales and molecular-scale simulation. This work reviews the fundamentals of DPD simulation and its progress on colloids and interface systems, especially surfactant/water/oil mixtures. The effects of temperature, salt content, a water/oil ratio, a shear rate, and a type of surfactant on the interfacial behavior in water/oil/surfactant systems using DPD simulation are evaluated. In addition, the obtained results are also investigated through the lens of the chemistry of surfactants and emulsions. The outcome of this comprehensive review demonstrates the importance of DPD simulation in various processes with a focus on the colloidal and interfacial behavior of surfactants at water-oil interfaces.
Subject(s)
Pulmonary Surfactants , Surface-Active Agents , Surface-Active Agents/chemistry , Water/chemistry , Colloids/chemistry , Molecular Dynamics Simulation , EmulsionsABSTRACT
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ABSTRACT
As a new class of two-dimensional materials, the MXene family has triggered attention because of its unique electrical and mechanical properties. MXene's excellent electrical conductivity and hydrophilicity make it an ideal option for polymer nanocomposite fabrication. For the first time, polymer nanocomposites of polyvinyl alcohol (PVA)/Ti3C2T x (MXene) were used for charge storage applications in the X-band frequency range (8.2-12.4 GHz). By implementing solution casting and vacuum-assisted filtration (VAF), flexible thin films with exceptional dielectric properties (solution casting @ 10.0 wt % MXene: ε' = 370.5 and tan δ = 0.11 and VAF @ 10.0 wt % MXene: ε' = 3166 and tan δ = 0.09) were fabricated. The reported dielectric constants in this study are among the highest values obtained in X-band frequency with low dielectric losses. This outstanding performance originates from the high electrical conductivity of synthesized Ti3C2T x MXene (σ ≈ 1.4 ± 0.077 × 106 S/m; the highest reported value for Ti3C2T x MXene to date in the literature), great dispersion state, and the nacre-like structure of the polymer nanocomposites. Combining the exceptional properties of MXene with the effective nacre-like structure, PVA/MXene nanocomposites can be used as a novel charge storage material, fulfilling the requirements of flexible electronics and energy storage devices.
