Results 81 to 90 of about 25,110 (216)
Crystal Engineering of Reticular Materials for Gas‐ and Liquid‐Phase Hydrocarbon Separation
Advanced Materials, Volume 38, Issue 16, 17 March 2026.Crystal engineering enables systematic study of structure/function relationships as exemplified by pore engineering of reticular sorbents, including porous coordination networks and covalent organic frameworks. This review assesses such studies applied across the full scope of industrially relevant hydrocarbon separations to provide insight into how ...
Xia Li +2 more
wiley +1 more source
Cluster virial expansion for quark and nuclear matter
, 2015 We employ the $\Phi-$ derivable approach to many particle systems with strong correlations that can lead to the formation of bound states (clusters) of different size.
Blaschke, David
core +1 more source
Machine Learning Discovery of Record‐Low Lattice Thermal Conductivity in Double Perovskites
Advanced Science, Volume 13, Issue 18, 27 March 2026.A deep learning interatomic potential is introduced to predict forces for computing phonon properties and thermal transport behavior in double perovskites. Screening 9,709 compounds identifies 1,597 stable materials, and Boltzmann transport calculations including both three and four‐phonon scattering suggests a record‐low lattice thermal conductivity ...
Md Zaibul Anam +3 more
wiley +1 more source
MODIFIED NUMERICAL TABLES FOR THE CALCULATION OF NON-SPHERICAL CONTRIBUTION TO SECOND VIRIAL COEFFICIENTS AND THE CORRELATION EQUATIONS OF STATE FOR CO,, CS, AND C6H6 [PDF]
Journal of Sciences, Islamic Republic of Iran, 1997 A revised analysis of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient is presented with a preferred Hartree-Fock-Dispersion functional (HFD-C) spherical core treatment of the integrations for ...
doaj
Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice
Small Methods, Volume 10, Issue 5, 9 March 2026.Computational modeling is widely used to investigate electrocatalytic reactions, yet accurately describing electrochemical interfaces remains challenging. This review outlines theoretical and computational strategies, based on density functional theory, to model reaction thermodynamics, solvation effects, applied bias, and kinetics.
Michele Re Fiorentin +8 more
wiley +1 more source
Numerical Study of a Nonlocal Nonlinear Schrödinger Equation (MMT Model)
Studies in Applied Mathematics, Volume 156, Issue 3, March 2026.ABSTRACT In this paper, we study a nonlocal nonlinear Schrödinger equation (MMT model). We investigate the effect of the nonlocal operator appearing in the nonlinearity on the long‐term behavior of solutions, and we identify the conditions under which the solutions of the Cauchy problem associated with this equation are bounded globally in time in the ...
Amin Esfahani, Gulcin M. Muslu
wiley +1 more source
Study of CH4 and CO2 competitive adsorption on shale in Yibin, Sichuan Province of China
Carbon Resources Conversion, 2019 Shale gas is an unconventional gas source with substantial development potential. In this study, Longmaxi Formation shale from the Silurian system in Yibin, Sichuan Province was collected for characterizing total organic carbon (TOC), clay mineral ...
Yue Ma +4 more
doaj +1 more source
Wave‐Partition‐Governed Dual‐Site Spallation in Single Crystals
Advanced Science, Volume 13, Issue 9, 13 February 2026.Crystalline anisotropy shapes shock‐wave propagation and the resulting damage evolution in single crystals. Large‐scale molecular dynamics and damage modeling uncover a dual‐spallation mechanism driven by anisotropic elasticplastic wave separation, which mitigates damage accumulation.
Youlin Zhu +6 more
wiley +1 more source
The classical equation of state of fully ionized plasmas
AIP Advances, 2011 The aim of this paper is to calculate the analytical form of the equation of state until the third virial coefficient of a classical system interacting via an effective potential of fully Ionized Plasmas. The excess osmotic pressure is represented in the
Dalia Ahmed Eisa
doaj +1 more source
Design rules for the self-assembly of a protein crystal
, 2011 Theories of protein crystallization based on spheres that form close-packed crystals predict optimal assembly within a `slot' of second virial coefficients and enhanced assembly near the metastable liquid-vapor critical point.
Asherie +51 more
core +1 more source