Results 21 to 30 of about 1,522 (159)
JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 1984 Mesure par la methode de Burnett du 2eme coefficient viriel de l'ethane a 423,15°K. Determination des parametres potentiels du groupe methyl du modele OK pour la prevision des 2emes coefficients viriels de molecules symetriques lineaires. Application au calcul des 2emes coefficients viriels du propane et du butane et comparaison avec des donnees ...
OHGAKI, KAZUNARI +2 more
openaire +2 more sources
Polymer Brushes Govern Defect‐Selective Oxidative Etching of Penta‐Twinned Gold Nanorods
Angewandte Chemie, Volume 138, Issue 39, 21 September 2026.Polymer brushes act as active interfacial regulators of oxidative etching, directing it to crystallographic defects. In penta‐twinned gold nanorods, defect–ligand interplay localizes etching to defect regions and induces surface corrugations on the long nanorod sides. This work establishes a framework for programmable nanoengineering of the surfaces of
Tianyi Wu +9 more
wiley +2 more sources
Advanced Science, EarlyView.An “Interface Reactor” strategy boosts simulation stability by 2–3 orders of magnitude, enabling stable 100 ns molecular dynamics of electrode‐electrolyte interfaces. Distinct SEI formation mechanisms are revealed: mixed co‐formation in carbonates versus surface‐energy‐controlled NaF crystallization in ethers. Metadynamics simulations further elucidate
Zhoulin Liu +6 more
wiley +1 more source
Frontiers in Molecular Biosciences, 2019 The effects of macromolecular crowding on the thermodynamic properties of test proteins are determined by the latter's transfer free energies from a dilute solution to a crowded solution.
Valery Nguemaha +3 more
doaj +1 more source
Unveiling the Ultralow Thermal Conductivity of Hybrid Perovskites
Advanced Science, EarlyView.In hybrid perovskites, thermal energy flows through lattice vibrations of the framework (48%–65%) and organic molecules (35%–52%). When the disorder introduced by organic molecules is excluded, the temperature dependence of the vibrational thermal conductivity results from the lattice framework transits from ∼T0 to ∼T−1, and the value doubles at room ...
Qinqin He +3 more
wiley +1 more source
Second virial coefficient for the Lennard–Jones potential
Physica A: Statistical Mechanics and its Applications, 2001 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Vargas, P, Munoz, E, Rodriguez, L
openaire +4 more sources
Application of Genetic Algorithm Based Support Vector Machine Model in Second Virial Coefficient Prediction of Pure Compounds [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2018 In this work, a Genetic Algorithm boosted Least Square Support Vector Machine model by a set of linear equations instead of a quadratic program, which is improved version of Support Vector Machine model, was used for estimation of 98 pure compounds ...
Mohammad Soleimani Lashkenar +2 more
doaj
An improved vdW-type component mixing-rule applied in CO2-crude system
Petroleum Exploration and Development, 2016 A new vdW-type mixing-rule has been proposed considering the interaction among the affecting factors of temperature, pressure and non-hydrocarbon components, through analysis of equation of state and theory of interaction among molecules.
Siyu YANG +4 more
doaj +1 more source
AIChE Journal, EarlyView.Abstract Sorption in glassy polymer membranes is commonly modeled with the dual‐mode sorption (DMS) model. Fitting the DMS model to sorption isotherms presents challenges, as multiple parameter sets may prove satisfactory. This work presents pyDMS, an open‐source Python package for the computation of DMS parameters obtained via a physics‐informed ...
Brandon C. Tapia +4 more
wiley +1 more source
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