Results 51 to 60 of about 1,633 (182)
Chemical Thermodynamics and Thermal Analysis, 2022 Excess internal pressure of solution and excess partial molar volume of solute data embedded in the parameter reversible isothermal work (W) have been used to calculate the ion–ion pair correlation functions (gij(r), r being distance) and the ...
Preeti A. Tomar +2 more
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Entropy, 2013 More than three decades ago, Tykodi and Hummel proposed a procedure to investigate the self-consistency thermodynamical criterion for equations of the state of gases.
Benjamín López-Carrera +2 more
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Pressure Dependence of Liquid Iron Viscosity From Machine‐Learning Molecular Dynamics
Geochemistry, Geophysics, Geosystems, Volume 27, Issue 4, April 2026.Abstract We have developed a machine‐learning potential that accurately models the behavior of iron under the conditions of Earth's core. By performing numerous nanosecond scale equilibrium molecular dynamics simulations, the viscosities of liquid iron for the whole outer core conditions are obtained with much less uncertainty.
Kai Luo, Xuyang Long, R. E. Cohen
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A New Piecewise EOS for Compressibility Factor Prediction Based on the M-factor Theory [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2010 In this study for the first time a new description of compressibility factor is rendered based on the virial expansion. The compressibility factor as a function of M-factor is qualitatively and quantitatively expressed.
Rasool Mohammadikhah +2 more
doaj
Streaming potential analysis of hair variation: Ethnicities and environmental exposures
International Journal of Cosmetic Science, Volume 48, Issue 2, Page 230-242, April 2026.Ethnicity and weathering shape electrokinetic behaviour and particle deposition in hair. ζ‐potential magnitudes ranked Caucasian > Indian > Chinese with no significant root‐tip variations. Deposition patterns generally correlate with ζ‐potential but differ by ethnicity, implicating other factors.
Huijun Phoebe Tham +2 more
wiley +1 more source
, 2014 Citation: 'virial coefficients' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.V06625 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire +1 more source
ChemPhysChem, Volume 27, Issue 6, 27 March 2026.The host–guest complexation of a new fluorescent probe called 7‐(diethylamino)‐4‐hydroxyquinoline‐2(1H)‐one (QD) and its inclusion complex with the Cucurbit[7]uril (CB7) macrocycle were studied within a joint experimental and computational study. Confinement alters the photophysical properties of the synthesized quinolinone derivative also offering a ...
Kevin Droguett +4 more
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Analytical formulae for the energy of electron subshells in atoms and their optimization; pp. 378–393 [PDF]
Proceedings of the Estonian Academy of Sciences, 2016 Generalized analytical orthonormal quasi-hydrogenic radial wave functions with free parameters (radius-dependent screened nuclear charge) are introduced. By them the analytical expressions for Slater radial integrals are derived.
Arved Sapar
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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
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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
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