A simple model of dimerizing hard spheres with highly nontrivial fluid-solid phase behavior is proposed and studied using the recently proposed resummed thermodynamic perturbation theory for central force (RTPT-CF) associating potentials. The phase diagram has the fluid branch of the fluid-solid coexistence curve located at temperatures lower than those of the solid branch. This unusual behavior is related to the strong dependence of the system excluded volume on the temperature, which for the model at hand decreases with increasing temperature. This effect can be also seen for a wide family of fluid models with an effective interaction that combines short range attraction and repulsion at a larger distance. We expect that for sufficiently high repulsive barrier, such systems may show similar phase behavior.
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http://dx.doi.org/10.1039/c6sm02572b | DOI Listing |
Sci Rep
January 2025
College of Petroleum Engineering, Liaoning Petrochemical University, Fushun, China.
The laminae of varying lithologies are characteristic of shale oil reservoirs, with their pronounced heterogeneity and fluid-solid coupling significantly impacting oil productivity. To this end, this study initially quantified the permeability and mechanical heterogeneity in lamina-developed shale through permeability tests and quasi triaxial mechanical experiments on shale cores from different orientations in the Jiyang Depression. These tests revealed marked brittleness in horizontally oriented cores and elasticity in vertically oriented cores.
View Article and Find Full Text PDFPhys Rev E
November 2024
Joint Institute for High Temperatures, Russian Academy of Sciences, 125412 Moscow, Russia.
We calculate the shear relaxation times in four important simple monatomic model fluids: Lennard-Jones, Yukawa, soft-sphere, and hard-sphere fluids. It is observed that in properly reduced units, the shear relaxation times exhibit quasiuniversal behavior when the density increases from the gaslike low values to the high-density regime near crystallization. They first decrease with density at low densities, reach minima at moderate densities, and then increase toward the freezing point.
View Article and Find Full Text PDFJ Chem Phys
November 2024
Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz Pl. 1, 76344 Eggenstein-Leopoldshafen, Germany.
Variations from equilibrium Young's angle, known as contact angle hysteresis (CAH), are frequently observed upon droplet deposition on a solid surface. This ubiquitous phenomenon indicates the presence of multiple local surface energy minima for the sessile droplet. Previous research primarily explains CAH via considering macroscopic roughness, such as topographical defects, which alter the effective interfacial energy between the fluid phase and the solid phase, thereby shifting the global surface energy minimum.
View Article and Find Full Text PDFLangmuir
November 2024
Center of Innovation for Flow through Porous Media, Department of Energy and Petroleum Engineering, University of Wyoming, Laramie, Wyoming 82071, United States.
The impact of wettability on the confined phase behavior of fluids is paramount for various applications, such as gas storage, carbon dioxide sequestration, and water purification. However, the understanding of the fluid-solid intermolecular interactions in confined systems is still limited and requires further investigation. This work investigates the effect of hydrophilic and hydrophobic nanoporous materials on the adsorption and desorption isotherms of -butane.
View Article and Find Full Text PDFJ Chem Phys
October 2024
Institute of Applied Materials-Microstructure Modelling and Simulation, Karlsruhe Institute of Technology, Straße am Forum 7, 76131 Karlsruhe, Germany.
Wetting phenomena have been widely observed in our daily lives, such as dew on lotus leaf, and applied in technical applications, e.g., ink-jet printing.
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