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Information × Registration Number 0223U005394, 0123U103662 , R & D reports Title Structural and thermodynamic properties in mixtures with competing interactions popup.stage_title Head Patsahan Oksana V., Доктор фізико-математичних наук Registration Date 22-12-2023 Organization Institute of Condensed Matter Physics of the National Academy of Sciences of Ukraine popup.description2 The mesoscopic theory is developed to study concentrated electrolytes in a slit with charged walls. We obtain charge- and density profiles, as well as the excess grand potential as a function of the slit width L in the self-consistent Gaussian approximation. For large density of ions, the obtained disjoining pressure exhibits oscillatory asymptotic decay for increasing L, with the decay length that agrees with the results of recent experiments. We show that if the charge density decays with a distance from a charged surface in the oscillatory way, then the electrostatic energy of the slit with charged walls also decays with L in an oscillatory way with the same characteristic lengths. The theory is developed to analyze the behavior of an ionic liquid in an ultrathin pore containing only a single layer of ions within the framework of the lattice model. Using the Bethe lattice approximation, the phase diagram of the model is analytically calculated over a wide range of values of interionic interactions, applied voltage, and pore ionophobicity. The diagram is characterized by the coexistence of two phases: ordered and disordered, between which first and second-order transitions occur. The case of an inhomogeneous pore has been analyzed. Specifically, the calculations show that if a portion of the ionophobic pore is ionneutral, it leads to a larger region of the ordered phase, which is advantageous for energy accumulation. Using the field-theoretical approach and molecular dynamics computer simulations, spatial distributions of the fluid of soft particles with competing interactions in a mixture with a simple fluid in volume are investigated. In the mean-field approximation, density profiles of both components were calculated for different densities and temperatures. It has been demonstrated that the proposed approach qualitatively reproduces the transition from a disordered mixture system to a mesostructured ordered system. Product Description popup.authors Dudka Maxym L. Patsahan Taras M. popup.nrat_date 2023-12-22 Close