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Soft Condensed Matter & Biophysics, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 1, 3584 CC Utrecht, The Netherlands.
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Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Ciencias Integradas, Universidad de Huelva, 21006 Huelva, Spain.
In this work, the tetrahydrofuran (THF) hydrate-water interfacial free energy is determined at 500 bar, at one point of the univariant two-phase coexistence line of the THF hydrate, by molecular dynamics simulation. The mold integration-host methodology, an extension of the original mold integration technique to deal with hydrate-fluid interfaces, is used to calculate the interfacial energy. Water is described using the well-known TIP4P/Ice model, and THF is described using a rigid version of the TraPPE model.
View Article and Find Full Text PDFMelting curve of two-dimensional Yukawa systems predicted by isomorph theory.
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Institute of Plasma Physics and Technology, Jiangsu Key Laboratory of Frontier Material Physics and Devices, School of Physical Science and Technology, Soochow University, Suzhou 215006, China.
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View Article and Find Full Text PDFPhase behavior of -hexane confined in unconsolidated nanoporous media: an experimental investigation at varying pore sizes and temperatures.
Phys Chem Chem Phys
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Center of Innovation for Flow through Porous Media Department of Energy and Petroleum Engineering, University of Wyoming Laramie, Wyoming 82071, USA.
We investigated the effect of confinement on the phase behavior of hexane in nanopores of mesoporous silica at varying pore diameters and temperatures using a patented gravimetric apparatus. The adsorption and desorption isotherms were experimentally measured, and the capillary condensation and evaporation pressures were calculated from the isotherms. The results show that, for all pore sizes and temperatures utilized here, the confinement of fluids significantly lowers the vapor-liquid phase transition pressures.
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Sci Rep
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Department of Computer Science and Engineering, MLR Institute of Technology, Hyderabad, Telangana, India.
Hydromagnetically associated heat convection can greatly enhance the performance of high-efficiency thermal appliances and renewable energy sources through an optimized design. This investigation examines the production of thermodynamic irreversibility and heat convection for a double lid-driven flow within a partially porous stratified hexagonal enclosure. The top and bottom-wall are moving in the opposite direction with an equal velocity U.
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