Cover Image

Thermodynamic consistency and fluctuations in mesoscopic stochastic simulations of reactive gas mixtures

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Polimeno, Matteo, Kim, Changho, Blanchette, François, Srivastava, Ishan, Garcia, Alejandro L., Nonaka, Andy J., Bell, John B.
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Computational Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Thermodynamically Consistent Incorporation of the Langmuir Adsorption Model into Compressible Fluctuating Hydrodynamics
by: Jung, Hyun Tae, et al.
Published: (2025)

Internal stresses in low-Reynolds-number fractal aggregates
by: Polimeno, Matteo, et al.
Published: (2024)

Thermodynamics of mixtures containing aromatic nitriles
by: González, Juan Antonio, et al.
Published: (2024)

Thermodynamics of mixtures containing a fluorinated benzene and a hydrocarbon
by: González, Juan Antonio, et al.
Published: (2024)

Temporal reversibility of reactive systems out of equilibrium: Molecular dynamics simulation
by: Politano, O., et al.
Published: (2024)

Thermodynamics of mixtures containing alkoxyethanols. XXVIII: Liquid-liquid equilibria for 2-phenoxyethanol + selected alkanes
by: Alonso, Víctor, et al.
Published: (2024)

Speed of sound data, derived perfect-gas heat capacities, and acoustic virial coefficients of a calibration standard natural gas mixture and a low-calorific $H_{2}$-enriched mixture
by: Lozano-Martín, Daniel, et al.
Published: (2024)

Thermodynamic ($p,ρ,T$) characterization of a reference high-calorific natural gas mixture when hydrogen is added up to 20 % (mol/mol)
by: Lozano-Martín, Daniel, et al.
Published: (2024)

Thermodynamics of chlorobenzene, or bromobenzene, or 1-chloronaphthalene or 1,2,4-trichlorobenzene + alkane mixtures
by: González, Juan Antonio, et al.
Published: (2024)

Quantum rotor in a two-dimensional mesoscopic Bose gas
by: Suchorowski, Michał, et al.
Published: (2024)

Highly coarse-grained polarisable water models for mesoscopic simulations
by: Seaton, Michael A., et al.
Published: (2026)

Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
by: González, Juan Antonio, et al.
Published: (2024)

Petrov-Galerkin model reduction for thermochemical nonequilibrium gas mixtures
by: Zanardi, Ivan, et al.
Published: (2024)

Thermodynamics of mixtures containing a very strongly polar compound. 11. 1-Alkanol + alkanenitrile systems
by: González, Juan Antonio, et al.
Published: (2024)

Thermodynamics of 2-alkanol + polar organic solvent mixtures. I. Systems with ketones, ethers or organic carbonates
by: González, Juan Antonio, et al.
Published: (2024)

Thermodynamics and transport in molten chloride salts and their mixtures
by: Cockrell, Cillian, et al.
Published: (2024)

Thermodynamics of mixtures containing amines. XVII. Excess molar enthalpy and volume measurements for benzylamine + heptane or + 1-alkanol mixtures at 298.15 K. Application of the DISQUAC and ERAS models
by: Sanz, Luis Felipe, et al.
Published: (2024)

Thermodynamics of mixtures containing a very strongly polar compound. 12. Systems with nitrobenzene or 1-nitroalkane and hydrocarbons or 1-alkanols
by: González, Juan Antonio, et al.
Published: (2024)

State- and molecule-selective rotational control in gas mixtures with a shaped optical centrifuge
by: Amani, P., et al.
Published: (2021)

Transport-preserving neural ab initio scattering kernels for rarefied binary gas mixtures
by: Roohi, Ehsan
Published: (2026)

Thermodynamics of amide+amine mixtures. 4. Relative permittivities of N,N-dimethylacetamide+N-propylpropan-1-amine, +N-butylbutan-1-amine, +butan-1-amine, or +hexan-1-amine and of N,N-dimethylformamide+aniline mixtures
by: Hevia, Fernando, et al.
Published: (2024)

Thermodynamics of amide + ketone mixtures. 1. Volumetric, speed of sound and refractive index data for N,N-dimethylformamide + 2-alkanone systems at several temperatures
by: Cobos, Ana, et al.
Published: (2024)

Accurate experimental ($p$, $ρ$, $T$) data of natural gas mixtures for the assessment of reference equations of state when dealing with hydrogen-enriched natural gas
by: Hernández-Gómez, Roberto, et al.
Published: (2024)

Thermodynamics of mixtures with strong negative deviations from Raoult's law. XVIII: Excess molar enthalpies for the (1-alkanol + cyclohexylamine) systems at 298.15 K and modelling
by: Sanz, Luis Felipe, et al.
Published: (2024)

Spontaneous symmetry breaking and inversion-line spectroscopy in gas mixtures
by: Presilla, Carlo, et al.
Published: (2015)

Fully Polarizable Multiconfigurational Self-consistent Field/Fluctuating Charge Approach
by: Sepali, Chiara, et al.
Published: (2024)

AI-assisted prediction of catalytically reactive hotspots in nanoalloys
by: Kullgren, Jolla, et al.
Published: (2025)

Size-consistent implementation of Hamiltonian simulation-based quantum-selected configuration interaction method for the supramolecular approach
by: Sugisaki, Kenji
Published: (2025)

Thermodynamics of ketone + amine mixtures: Part II. Volumetric and speed of sound data at (293.15, 298.15 and 303.15) K for 2-propanone + dipropylamine, + dibutylamine or + triethylamine systems
by: Alonso, Iván, et al.
Published: (2024)

Thermodynamics of ketone + amine mixtures. I. Volumetric and speed of sound data at (293.15, 298.15, and 303.15) K for 2-propanone + aniline, + N- methylaniline, or + pyridine systems
by: Alonso, Iván, et al.
Published: (2024)

Comment on "Validity of path thermodynamic description of reactive systems: Microscopic simulations''
by: Gaspard, Pierre
Published: (2023)

MaxwellLink: A unified framework for self-consistent light-matter simulations
by: Ji, Xinwei, et al.
Published: (2025)

Thermodynamics of mixtures with strongly negative deviations from Raoult's law. XV. Permittivities and refractive indices for 1-alkanol + n-hexylamine systems at (293.15-303.15) K. Application of the Kirkwood-Fröhlich model
by: Hevia, Fernando, et al.
Published: (2024)

Probabilistic transfer learning methodology to expedite high fidelity simulation of reactive flows
by: Soriano, Bruno S., et al.
Published: (2024)

Thermodynamics of mixtures with strongly negative deviations from Raoult's law. XVI. Permittivities and refractive indices for 1-alkanol + di-n-propylamine systems at (293.15-303.15) K. Application of the Kirkwood-Fröhlich model
by: Hevia, Fernando, et al.
Published: (2024)

Thermodynamics of amide+ketone mixtures. 2. Volumetric, speed of sound and refractive index data for N,N-dimethylacetamide+2-alkanone systems at several temperatures. Application of Flory's model to tertiary amide+n-alkanone systems
by: Cobos, Ana, et al.
Published: (2024)

Thermodynamics of amide + amine mixtures. 3. Relative permittivities of N,N-dimethylformamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at several temperatures
by: Hevia, Fernando, et al.
Published: (2024)

Thermodynamics of mixtures with strongly negative deviations from Raoult's law. XVII. Permittivities and refractive indices for alkan-1-ol + N,N-diethylethanamine systems at (293.15-303.15) K. Application of the Kirkwood-Fröhlich model
by: Hevia, Fernando, et al.
Published: (2024)

Thermophysical properties of hydrogen mixtures relevant for the development of the hydrogen economy: Review of available experimental data and thermodynamic models
by: Lozano-Martín, Daniel, et al.
Published: (2024)

Orientational effects in mixtures of organic carbonates with alkanes or 1-alkanols
by: González, Juan Antonio, et al.
Published: (2024)