Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1103/physreve.49.1077 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Gas and Liquid Isotherms: The Need for a Common Foundation.
Langmuir
January 2025
Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan.
Sorption isotherms for gases and liquids have long been formulated separately. There is a fundamental problem with this approach: the popular isotherm models (such as Langmuir, BET, and GAB) for gases cannot be applied straightforwardly to sorption from solution. This contrasts with the theory of liquid solutions, where solute-solute interaction, mediated by the solvent, is captured as the potential of mean force, providing powerful interpretive tools (e.
View Article and Find Full Text PDFEstimating metastable thermodynamic properties by isochoric extrapolation from stable states.
J Chem Phys
July 2024
Department of Gas Technology, SINTEF Energy Research, NO-7465 Trondheim, Norway.
The description of metastable fluids, those in local but not global equilibrium, remains an important problem of thermodynamics, and it is crucial for many industrial applications and all first order phase transitions. One way to estimate their properties is by extrapolation from nearby stable states. This is often done isothermally, in terms of a virial expansion for gases or a Taylor expansion in density for liquids.
View Article and Find Full Text PDFThermodynamics of spin-1/2 fermions on coarse temporal lattices using automated algebra.
Philos Trans A Math Phys Eng Sci
July 2024
Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599, USA.
Recent advances in automated algebra for dilute Fermi gases in the virial expansion, where coarse temporal lattices were found advantageous, motivate the study of more general computational schemes that could be applied to arbitrary densities, beyond the dilute limit where the virial expansion is physically reasonable. We propose here such an approach by developing what we call the Quantum Thermodynamics Computational Engine (QTCE). In QTCE, the imaginary-time direction is discretized and the interaction is accounted for via a quantum cumulant expansion, where the coefficients are expressed in terms of non-interacting expectation values.
View Article and Find Full Text PDFStructure Factors for Hot Neutron Matter from Ab Initio Lattice Simulations with High-Fidelity Chiral Interactions.
Phys Rev Lett
June 2024
Key Laboratory of Atomic and Subatomic Structure and Quantum Control (MOE), Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of Matter, Institute of Quantum Matter, South China Normal University, Guangzhou 510006, China.
We present the first ab initio lattice calculations of spin and density correlations in hot neutron matter using high-fidelity interactions at next-to-next-to-next-to-leading order in chiral effective field theory. These correlations have a large impact on neutrino heating and shock revival in core-collapse supernovae and are encapsulated in functions called structure factors. Unfortunately, calculations of structure factors using high-fidelity chiral interactions were well out of reach using existing computational methods.
View Article and Find Full Text PDFThermodynamic properties of quasi-one-dimensional fluids.
J Chem Phys
June 2024
Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, 55099 Mainz, Germany.
We calculate thermodynamic and structural quantities of a fluid of hard spheres of diameter σ in a quasi-one-dimensional pore with accessible pore width W smaller than σ by applying a perturbative method worked out earlier for a confined fluid in a slit pore [Franosch et al. Phys. Rev.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!