On the interfacial properties of hydroquinone: realistic and coarse-grained molecular models from computer simulation
Fuente:
arXiv
Enregistré dans:
| Auteurs principaux: | Torrejón, M. J., García, B. Rodríguez, Algaba, J., Olmos, J. M., Peréz-Rodríguez, M., Míguez, J. M., Mejía, A., Piñeiro, M. M., Blas, F. J. |
|---|---|
| Format: | Preprint |
| Publié: |
2025
|
| Sujets: | |
| Accès en ligne: | |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
Simulation of the THF hydrate-water interfacial free energy from computer simulation
par: Torrejón, Miguel J., et autres
Publié: (2024)
par: Torrejón, Miguel J., et autres
Publié: (2024)
Three-phase equilibria of hydrates from computer simulation. III. Effect of dispersive interactions in the methane and carbon dioxide hydrates
par: Algaba, J., et autres
Publié: (2024)
par: Algaba, J., et autres
Publié: (2024)
Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation
par: Algaba, Jesús, et autres
Publié: (2024)
par: Algaba, Jesús, et autres
Publié: (2024)
Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate
par: Blazquez, S., et autres
Publié: (2024)
par: Blazquez, S., et autres
Publié: (2024)
Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate
par: Algaba, J., et autres
Publié: (2024)
par: Algaba, J., et autres
Publié: (2024)
Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation. II. Effect of multiple occupancy
par: Torrejón, Miguel J., et autres
Publié: (2024)
par: Torrejón, Miguel J., et autres
Publié: (2024)
Prediction of the three-phase coexistence line of the ethane hydrate from molecular simulation
par: Gómez-Álvarez, Paula, et autres
Publié: (2025)
par: Gómez-Álvarez, Paula, et autres
Publié: (2025)
Prediction of the univariant two-phase coexistence line of the tetrahydrofuran hydrate from computer simulation
par: Algaba, Jesús, et autres
Publié: (2024)
par: Algaba, Jesús, et autres
Publié: (2024)
Dissociation Line and Driving Force for Nucleation of the Multiple Occupied Hydrogen Hydrate from Computer Simulation
par: Torrejon, Miguel J., et autres
Publié: (2025)
par: Torrejon, Miguel J., et autres
Publié: (2025)
Homogeneous nucleation rate of carbon dioxide hydrate formation under experimental condition from Seeding simulations
par: Zerón, I. M., et autres
Publié: (2025)
par: Zerón, I. M., et autres
Publié: (2025)
Three-phase equilibria of CO$_2$ hydrate from computer simulation in presence of NaCl
par: Borrero, A., et autres
Publié: (2025)
par: Borrero, A., et autres
Publié: (2025)
Effect of pressure on the carbon dioxide hydrate-water interfacial free energy along its dissociation line
par: Romero-Guzmán, Cristóbal, et autres
Publié: (2024)
par: Romero-Guzmán, Cristóbal, et autres
Publié: (2024)
Transport properties of the square-well fluid from molecular dynamics simulation
par: Zerón, Iván M., et autres
Publié: (2024)
par: Zerón, Iván M., et autres
Publié: (2024)
Rotationally invariant local bond order parameters for accurate determination of hydrate structures
par: Zerón, Iván M., et autres
Publié: (2024)
par: Zerón, Iván M., et autres
Publié: (2024)
Solubility and dissociation of ionic liquids in epoxides and cyclic carbonate by molecular dynamics simulation
par: Dorado-Alfaro, Sergio, et autres
Publié: (2025)
par: Dorado-Alfaro, Sergio, et autres
Publié: (2025)
Toward a realistic model of multilayered bacterial colonies
par: Khan, M. T., et autres
Publié: (2024)
par: Khan, M. T., et autres
Publié: (2024)
Simulation of the carbon dioxide hydrate-water interfacial energy
par: Acuña, Jesús Algabaa Esteban, et autres
Publié: (2026)
par: Acuña, Jesús Algabaa Esteban, et autres
Publié: (2026)
Solubility of carbon dioxide in water: some useful results for hydrate nucleation
par: Algaba, Jesús, et autres
Publié: (2024)
par: Algaba, Jesús, et autres
Publié: (2024)
Flow dichroism of DNA can be quantitatively predicted via coarse-grained molecular simulations
par: Pincus, Isaac, et autres
Publié: (2024)
par: Pincus, Isaac, et autres
Publié: (2024)
Unveiling the CO2 Hydrate Phase Diagram from Computer Simulation: Locating the Hydrate-Liquid-Vapor Coexistence and its Upper Quadruple Point
par: Algaba, Jesús, et autres
Publié: (2025)
par: Algaba, Jesús, et autres
Publié: (2025)
Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances
par: Di Pasquale, Nicodemo, et autres
Publié: (2024)
par: Di Pasquale, Nicodemo, et autres
Publié: (2024)
Dynamics of polymers in coarse-grained nematic solvents
par: Valei, Zahra, et autres
Publié: (2024)
par: Valei, Zahra, et autres
Publié: (2024)
Mesoscopic modelling of bio-compatible PLGA polymers with coarse-grained molecular dynamics simulations
par: Bellussi, Francesco Maria, et autres
Publié: (2024)
par: Bellussi, Francesco Maria, et autres
Publié: (2024)
Molecular simulation of methane hydrate growth confined into a silica pore
par: Fernández-Fernández, Ángel M., et autres
Publié: (2026)
par: Fernández-Fernández, Ángel M., et autres
Publié: (2026)
Martignac: Computational workflows for reproducible, traceable, and composable coarse-grained Martini simulations
par: Bereau, Tristan, et autres
Publié: (2024)
par: Bereau, Tristan, et autres
Publié: (2024)
Pressure effects in the properties of simple monohydric alcohols. Lessons from molecular dynamics simulations of united atom type UAM-EW model
par: Aguilar, M., et autres
Publié: (2026)
par: Aguilar, M., et autres
Publié: (2026)
Self-averaging parameter estimation for coarse-grained particle models
par: Monago, Carlos, et autres
Publié: (2026)
par: Monago, Carlos, et autres
Publié: (2026)
Temperature dependence of micelle shape transitions in copolymer solutions: the role of inter-block incompatibility
par: Greenall, M. J., et autres
Publié: (2024)
par: Greenall, M. J., et autres
Publié: (2024)
A simple time coarse graining method for molecular dynamics simulations of liquids
par: Martin, Maxime, et autres
Publié: (2025)
par: Martin, Maxime, et autres
Publié: (2025)
Highly coarse-grained polarisable water models for mesoscopic simulations
par: Seaton, Michael A., et autres
Publié: (2026)
par: Seaton, Michael A., et autres
Publié: (2026)
Stochastic kinetic theory applied to coarse-grained polymer model
par: Zhu, Shangren, et autres
Publié: (2023)
par: Zhu, Shangren, et autres
Publié: (2023)
Coexisting multiphase and interfacial behaviour of ouzo
par: Sibley, David N., et autres
Publié: (2024)
par: Sibley, David N., et autres
Publié: (2024)
3D Visualization Reveals the Cooling Rate Dependent Crystallization near a Wall in Dense Microgel Systems
par: Schelling, M. P. M., et autres
Publié: (2024)
par: Schelling, M. P. M., et autres
Publié: (2024)
Routes to the density profile and structural inconsistency
par: Tschopp, S. M., et autres
Publié: (2025)
par: Tschopp, S. M., et autres
Publié: (2025)
Distinguishing noisy crystal symmetries in coarse-grained computer simulations: New procedures for noise reduction and lattice reconstruction
par: Filimonova, Evgeniia, et autres
Publié: (2024)
par: Filimonova, Evgeniia, et autres
Publié: (2024)
II. Temperature trends in the properties of simple monohydric alcohols. Molecular dynamics simulations of united atom UAMI-EW model
par: Aguilar, M., et autres
Publié: (2026)
par: Aguilar, M., et autres
Publié: (2026)
Scaling regimes for unsteady diffusion across particle-stabilized fluid interfaces
par: van Overveld, T. J. J. M., et autres
Publié: (2025)
par: van Overveld, T. J. J. M., et autres
Publié: (2025)
On the temperature, pressure and composition effects in the properties of water-methanol mixtures. I. Density, excess mixing volume and enthalpy, and self-diffusion coefficients from molecular dynamics simulations
par: Sanchez, M. Cruz, et autres
Publié: (2025)
par: Sanchez, M. Cruz, et autres
Publié: (2025)
Mobility-induced phase separation in a binary mixture of active Brownian particles
par: Jiménez-Flores, D., et autres
Publié: (2025)
par: Jiménez-Flores, D., et autres
Publié: (2025)
Disentangling microstructural elements of shear thickening suspensions via computer simulations of a minimal model
par: Buchholtz, William C. J., et autres
Publié: (2026)
par: Buchholtz, William C. J., et autres
Publié: (2026)
Documents similaires
-
Simulation of the THF hydrate-water interfacial free energy from computer simulation
par: Torrejón, Miguel J., et autres
Publié: (2024) -
Three-phase equilibria of hydrates from computer simulation. III. Effect of dispersive interactions in the methane and carbon dioxide hydrates
par: Algaba, J., et autres
Publié: (2024) -
Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation
par: Algaba, Jesús, et autres
Publié: (2024) -
Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate
par: Blazquez, S., et autres
Publié: (2024) -
Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate
par: Algaba, J., et autres
Publié: (2024)