Cover Image

Prediction of the three-phase coexistence line of the ethane hydrate from molecular simulation

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Gómez-Álvarez, Paula, Torrejón, Miguel J., Algaba, Jesús, Blas, Felipe J.
Format:	Preprint
Published:	2025
Subjects:	Soft Condensed Matter
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

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

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

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

Simulation of the THF hydrate-water interfacial free energy from computer simulation
by: Torrejón, Miguel J., et al.
Published: (2024)

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

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

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

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

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

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

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

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

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

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

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

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

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

Freezing line of polydisperse hard spheres via direct-coexistence simulations
by: Castagnède, Antoine, et al.
Published: (2025)

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

How does ethane wet different substrates?
by: Baran, Ł., et al.
Published: (2026)

General approach for partitioning and phase separation in macromolecular coexisting phases
by: Varma, Vikki Anand, et al.
Published: (2025)

The elusive fluid-and-crystal coexistence state in simulations of monodisperse, hard-sphere colloids
by: Wang, J. Galen, et al.
Published: (2024)

Determining fluid-crystal phase boundaries for a binary hard-sphere mixture using direct-coexistence simulations
by: Alkemade, Rinske M., et al.
Published: (2026)

Two-field theory for phase coexistence of active Brownian particles
by: Perez-Bastías, Pablo, et al.
Published: (2025)

Neural density functional theory of liquid-gas phase coexistence
by: Sammüller, Florian, et al.
Published: (2024)

Non-equilibrium phase coexistence in conserved chemically active mixtures
by: Raßhofer, Florian, et al.
Published: (2026)

Self-propulsion via non-transitive phase coexistence in chemically active mixtures
by: Qiang, Yicheng, et al.
Published: (2025)

Comment on "The elusive fluid-and-crystal coexistence state in simulations of monodisperse, hard-sphere colloids"
by: Smallenburg, Frank
Published: (2026)

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

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

A simple and accurate method to determine fluid-crystal phase boundaries from direct coexistence simulations
by: Smallenburg, Frank, et al.
Published: (2024)

Hyperuniform interfaces in non-equilibrium phase coexistence
by: Maire, Raphaël, et al.
Published: (2025)

A water structure indicator suitable for generic contexts: two-liquid behavior at hydration and nanoconfinement conditions and a molecular approach to hydrophobicity and wetting
by: Loubet, Nicolás A., et al.
Published: (2024)

Collision of surfactant-laden droplets: insights from molecular dynamics simulation
by: Arbabi, Soheil, et al.
Published: (2025)

Phase coexistence in the Non-reciprocal Cahn-Hilliard model
by: Saha, Suropriya
Published: (2024)

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

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

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

Voids in liquids: peculiarities of molecular dynamics simulation of fluid systems
by: Fomin, Yu. D.
Published: (2026)

Mechanics of three-dimensional micro-architected interpenetrating phase composites
by: Chen, Andrew Y., et al.
Published: (2025)