II. Temperature trends in the properties of simple monohydric alcohols. Molecular dynamics simulations of united atom UAMI-EW model
Fuente:
arXiv
Saved in:
| Main Authors: | Aguilar, M., Núñez-Rojas, E., Pizio, O. |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Pressure effects in the properties of simple monohydric alcohols. Lessons from molecular dynamics simulations of united atom type UAM-EW model
by: Aguilar, M., et al.
Published: (2026)
by: Aguilar, M., et al.
Published: (2026)
Molecular dynamics simulations of water-ethanol mixtures. I. Composition trends in thermodynamic properties
by: Bautista, D. Benavides, et al.
Published: (2024)
by: Bautista, D. Benavides, et al.
Published: (2024)
Towards construction of microscopic model for smart coating of a solid surface
by: Pizio, O.
Published: (2025)
by: Pizio, O.
Published: (2025)
Pressure dependent structure of neat liquid methanol, CH3OH: molecular dynamics simulations with various united atom type potentials
by: Bakó, Imre, et al.
Published: (2025)
by: Bakó, Imre, et al.
Published: (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
by: Sanchez, M. Cruz, et al.
Published: (2025)
by: Sanchez, M. Cruz, et al.
Published: (2025)
Revisiting the wetting behavior of solid surfaces by water-like models within a density functional theory
by: Kozina, A., et al.
Published: (2024)
by: Kozina, A., et al.
Published: (2024)
Transport properties of the square-well fluid from molecular dynamics simulation
by: Zerón, Iván M., et al.
Published: (2024)
by: Zerón, Iván M., et al.
Published: (2024)
Scaling properties of diblock copolymers: dynamic simulations study
by: Haydukivska, K.
Published: (2025)
by: Haydukivska, K.
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)
by: Torrejón, M. J., et al.
Published: (2025)
Effects of skewing collision cells on transport properties in multiparticle collision dynamics simulations
by: Cha, Jinny, et al.
Published: (2025)
by: Cha, Jinny, et al.
Published: (2025)
Transport properties of monodisperse and bidisperse hard-sphere colloidal suspensions from multiparticle collision dynamics simulations
by: Howard, Michael P.
Published: (2026)
by: Howard, Michael P.
Published: (2026)
SPOCK*: A simple program for simulating knotted and concatenated polymer rings off-lattice
by: Ferrari, Franco, et al.
Published: (2026)
by: Ferrari, Franco, et al.
Published: (2026)
Polyampholyte model of ion clusters: double-layer interactions in the presence of dissociated simple salt
by: Ribar, David, et al.
Published: (2025)
by: Ribar, David, et al.
Published: (2025)
Molecular simulations of phase separation in elastic polymer networks
by: Yokoyama, Takahiro, et al.
Published: (2025)
by: Yokoyama, Takahiro, et al.
Published: (2025)
Collision of surfactant-laden droplets: insights from molecular dynamics simulation
by: Arbabi, Soheil, et al.
Published: (2025)
by: Arbabi, Soheil, et al.
Published: (2025)
Probing the nonequilibrium dynamics of stress, orientation and entanglements in polymer melts with orthogonal interrupted shear simulations
by: Cunha, Marco Aurelio Galvani, et al.
Published: (2021)
by: Cunha, Marco Aurelio Galvani, et al.
Published: (2021)
Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate
by: Algaba, J., et al.
Published: (2024)
by: Algaba, J., et al.
Published: (2024)
A simple time coarse graining method for molecular dynamics simulations of liquids
by: Martin, Maxime, et al.
Published: (2025)
by: Martin, Maxime, et al.
Published: (2025)
Molecular simulations of crazes in glassy polymers under cyclic loading
by: Laschuetza, Tobias, et al.
Published: (2024)
by: Laschuetza, Tobias, et al.
Published: (2024)
Predicting structure and swelling of microgels with different crosslinker concentrations combining machine-learning with numerical simulations
by: Marín-Aguilar, Susana, et al.
Published: (2025)
by: Marín-Aguilar, Susana, et al.
Published: (2025)
Association and phase transitions in simple models for biological and soft matter condensates
by: Bores, Cecilia, et al.
Published: (2026)
by: Bores, Cecilia, et al.
Published: (2026)
Length-dependent residence time of contacts in simple polymeric models
by: Marchi, E., et al.
Published: (2024)
by: Marchi, E., et al.
Published: (2024)
Reverse non-equilibrium molecular dynamics simulations of a melt of Kremer-Grest type model under fast shear
by: Oishi, Tatsuma, et al.
Published: (2024)
by: Oishi, Tatsuma, et al.
Published: (2024)
Molecular dynamics insights into the Debye process of 1-propanol
by: Hénot, Marceau, et al.
Published: (2025)
by: Hénot, Marceau, et al.
Published: (2025)
A bond swap algorithm for simulating dynamically crosslinked polymers
by: Rao, Peilin, et al.
Published: (2023)
by: Rao, Peilin, et al.
Published: (2023)
Voids in liquids: peculiarities of molecular dynamics simulation of fluid systems
by: Fomin, Yu. D.
Published: (2026)
by: Fomin, Yu. D.
Published: (2026)
Mesoscale simulation model for odd fluids
by: Jiao, Yuxing, et al.
Published: (2024)
by: Jiao, Yuxing, et al.
Published: (2024)
A simple yet effective ALE-FE method for the nonlinear planar dynamics of variable-length flexible rods
by: Koutsogiannakis, Panagiotis, et al.
Published: (2024)
by: Koutsogiannakis, Panagiotis, et al.
Published: (2024)
Destabilization of Alzheimers Amyloid-beta Protofibrils by Bai-calein: Mechanistic Insights from All-atom Molecular Dynamics Simulations
by: Choudhury, Sadika, et al.
Published: (2024)
by: Choudhury, Sadika, et al.
Published: (2024)
Is the Molecular Weight Dependence of the Glass Transition Temperature Caused by a Chain End Effect?
by: Drayer, William F., et al.
Published: (2023)
by: Drayer, William F., et al.
Published: (2023)
Effect of topology on the statics and dynamics of a polymer chain at the fluid-fluid interface: a molecular dynamics simulation study
by: Thongam, Jenis, et al.
Published: (2022)
by: Thongam, Jenis, et al.
Published: (2022)
Solubility and dissociation of ionic liquids in epoxides and cyclic carbonate by molecular dynamics simulation
by: Dorado-Alfaro, Sergio, et al.
Published: (2025)
by: Dorado-Alfaro, Sergio, et al.
Published: (2025)
New Insights into the Dependence of Glass Transition Temperature and Dynamic Fragility on Molecular Weight in Oligomers and Polymers
by: Ginzburg, Valeriy V., et al.
Published: (2025)
by: Ginzburg, Valeriy V., et al.
Published: (2025)
Multiscale theory, modelling, and simulation of hemicellulose and lignin in solution
by: Kovalenko, A.
Published: (2026)
by: Kovalenko, A.
Published: (2026)
Cooperative ligand-mediated transitions in simple macromolecules
by: Robinson, James L. Martin, et al.
Published: (2025)
by: Robinson, James L. Martin, et al.
Published: (2025)
Comparison of compression vs shearing near jamming, for a simple model of athermal frictionless disks in suspension
by: Peshkov, Anton, et al.
Published: (2022)
by: Peshkov, Anton, et al.
Published: (2022)
Steady-state extensional viscosity of wormlike micellar solutions via dissipative particle dynamics simulations
by: Koide, Yusuke, et al.
Published: (2025)
by: Koide, Yusuke, et al.
Published: (2025)
Phenol release from pNIPAM hydrogels: Scaling Molecular Dynamics simulations with Dynamical Density Functional Theory
by: Pérez-Ramírez, H. A., et al.
Published: (2026)
by: Pérez-Ramírez, H. A., et al.
Published: (2026)
Molecular dynamics simulations reveal internal tension in native state collagen fibrils
by: Steiakakis, Konstantinos, et al.
Published: (2025)
by: Steiakakis, Konstantinos, et al.
Published: (2025)
A simple method to reprogram the binding specificity of DNA-coated colloids that crystallize
by: Moerman, Pepijn G., et al.
Published: (2022)
by: Moerman, Pepijn G., et al.
Published: (2022)
Similar Items
-
Pressure effects in the properties of simple monohydric alcohols. Lessons from molecular dynamics simulations of united atom type UAM-EW model
by: Aguilar, M., et al.
Published: (2026) -
Molecular dynamics simulations of water-ethanol mixtures. I. Composition trends in thermodynamic properties
by: Bautista, D. Benavides, et al.
Published: (2024) -
Towards construction of microscopic model for smart coating of a solid surface
by: Pizio, O.
Published: (2025) -
Pressure dependent structure of neat liquid methanol, CH3OH: molecular dynamics simulations with various united atom type potentials
by: Bakó, Imre, et al.
Published: (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
by: Sanchez, M. Cruz, et al.
Published: (2025)