Copertina

Simulation of the THF hydrate-water interfacial free energy from computer simulation

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Torrejón, Miguel J., Romero-Guzmán, Cristóbal, Piñeiro, Manuel M., Blas, Felipe J., Algaba, Jesús
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Soft Condensed Matter
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Prediction of the univariant two-phase coexistence line of the tetrahydrofuran hydrate from computer simulation
di: Algaba, Jesús, et al.
Pubblicazione: (2024)

Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation
di: Algaba, Jesús, et al.
Pubblicazione: (2024)

Effect of pressure on the carbon dioxide hydrate-water interfacial free energy along its dissociation line
di: Romero-Guzmán, Cristóbal, et al.
Pubblicazione: (2024)

Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation. II. Effect of multiple occupancy
di: Torrejón, Miguel J., et al.
Pubblicazione: (2024)

Prediction of the three-phase coexistence line of the ethane hydrate from molecular simulation
di: Gómez-Álvarez, Paula, et al.
Pubblicazione: (2025)

Simulation of the carbon dioxide hydrate-water interfacial energy
di: Acuña, Jesús Algabaa Esteban, et al.
Pubblicazione: (2026)

On the interfacial properties of hydroquinone: realistic and coarse-grained molecular models from computer simulation
di: Torrejón, M. J., et al.
Pubblicazione: (2025)

Three-phase equilibria of hydrates from computer simulation. III. Effect of dispersive interactions in the methane and carbon dioxide hydrates
di: Algaba, J., et al.
Pubblicazione: (2024)

Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate
di: Blazquez, S., et al.
Pubblicazione: (2024)

Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate
di: Algaba, J., et al.
Pubblicazione: (2024)

Dissociation Line and Driving Force for Nucleation of the Multiple Occupied Hydrogen Hydrate from Computer Simulation
di: Torrejon, Miguel J., et al.
Pubblicazione: (2025)

Unveiling the CO2 Hydrate Phase Diagram from Computer Simulation: Locating the Hydrate-Liquid-Vapor Coexistence and its Upper Quadruple Point
di: Algaba, Jesús, et al.
Pubblicazione: (2025)

Rotationally invariant local bond order parameters for accurate determination of hydrate structures
di: Zerón, Iván M., et al.
Pubblicazione: (2024)

Three-phase equilibria of CO$_2$ hydrate from computer simulation in presence of NaCl
di: Borrero, A., et al.
Pubblicazione: (2025)

Solubility of carbon dioxide in water: some useful results for hydrate nucleation
di: Algaba, Jesús, et al.
Pubblicazione: (2024)

Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances
di: Di Pasquale, Nicodemo, et al.
Pubblicazione: (2024)

Homogeneous nucleation rate of carbon dioxide hydrate formation under experimental condition from Seeding simulations
di: Zerón, I. M., et al.
Pubblicazione: (2025)

Solubility and dissociation of ionic liquids in epoxides and cyclic carbonate by molecular dynamics simulation
di: Dorado-Alfaro, Sergio, et al.
Pubblicazione: (2025)

Transport properties of the square-well fluid from molecular dynamics simulation
di: Zerón, Iván M., et al.
Pubblicazione: (2024)

Dual effect of cholesterol on interfacial water dynamics in lipid membranes: Interplay between membrane packing and hydration
di: Shikata, Kokoro, et al.
Pubblicazione: (2025)

Molecular simulation of methane hydrate growth confined into a silica pore
di: Fernández-Fernández, Ángel M., et al.
Pubblicazione: (2026)

Coexisting multiphase and interfacial behaviour of ouzo
di: Sibley, David N., et al.
Pubblicazione: (2024)

Exploring the world of rhamnolipids: A critical review of their production, interfacial properties, and potential application
di: Guzman, Eduardo, et al.
Pubblicazione: (2025)

Heterogeneous structure and dynamics of water in a hydrated collagen microfibril
di: Vassaux, Maxime
Pubblicazione: (2023)

A structural determinant of the behavior of water at hydration and nanoconfinement conditions
di: Loubet, Nicolás A., et al.
Pubblicazione: (2023)

Consequences of the failure of equipartition for the p-V behavior of liquid water and the hydration free energy components of a small protein
di: Asthagiri, Dilipkumar N., et al.
Pubblicazione: (2024)

Predictions of the interfacial free energy along the coexistence line from single-state calculations
di: Sanchez-Burgos, Ignacio, et al.
Pubblicazione: (2024)

Mechanical and thermodynamic routes to the liquid-liquid interfacial tension and mixing free energy by molecular dynamics
di: Ogawa, Rei, et al.
Pubblicazione: (2024)

Direct calculation of the planar NaCl-aqueous solution interfacial free energy at the solubility limit
di: Sanchez-Burgos, Ignacio, et al.
Pubblicazione: (2022)

Two apparently different interfacial stress formulations constructed from the diffuse interface free energy model
di: Omori, Takeshi
Pubblicazione: (2024)

Electrical contact with dielectric breakdown of interfacial gap
di: Xu, Yang, et al.
Pubblicazione: (2024)

The impact of the interfacial Kapitza resistance on colloidal thermophoresis
di: Olarte-Plata, Juan D., et al.
Pubblicazione: (2023)

Disentangling microstructural elements of shear thickening suspensions via computer simulations of a minimal model
di: Buchholtz, William C. J., et al.
Pubblicazione: (2026)

Motility and interfacial instability of confined chemically active droplets
di: Kumar, Pawan, et al.
Pubblicazione: (2026)

Active particle in a very thin interfacial droplet
di: Kato, Airi N., et al.
Pubblicazione: (2025)

Three phase equilibria of the methane hydrate in NaCl solutions: A simulation study
di: Blazquez, S., et al.
Pubblicazione: (2024)

Flexible framework of computing binding free energy using the energy representation theory of solution
di: Okita, Kazuya, et al.
Pubblicazione: (2024)

Interplay of ethaline and water dynamics in a hydrated eutectic solvent: Deuteron and oxygen magnetic resonance studies of aqueous ethaline
di: Hinz, Yannik, et al.
Pubblicazione: (2024)

The origin of complex behavior of liquid carbon: an insight from computer simulation
di: Fomin, Yu. D.
Pubblicazione: (2026)

X-ray photon correlation spectroscopy of hydrated lysozyme at elevated pressures
di: Åhlfeldt, Milla, et al.
Pubblicazione: (2025)