Results 41 to 50 of about 6,011,616 (292)

Performance evaluation of carbon dioxide-alkanolamine- water system by equation of state/excess Gibbs energy models

, 2016
Numerous thermodynamic techniques have been applied to correlate carbon dioxide- alkanolamine-water systems, with varying accuracy and complexity. With advent of high pressure carbon dioxide absorption in industry, the development of high pressure ...
Maulud, Abdulhalim Shah, Suleman, Humbul; id_orcid, H Suleman, Z Man, Man, Zakaria, A S Maulud   +5 more
core   +1 more source

Coordination‐Modulated Catalytic Pathways at Carbon Dots‐Supported Single‐Atom Sites Revealed by Thiol Interactions

Advanced Functional Materials, EarlyView.
Carbon dots‐supported single‐atom catalysts provide a model platform for uncovering how coordination interactions regulate catalytic reactivity. Thiol binding at Ru‒N4 centers reshapes the reaction energy landscape of H2O2 activation, dynamically modulating ROS‐generation pathways through electronic‐structure perturbation.
Yihong Chen, Li Zhang, Qian Dong, Qingshi Liu, Kun Wang, Huiping Wang, Shaomin Shuang, Chuan Dong, Jin‐Chang Guo, Xiaojuan Gong, Zhuo Chen, Yingfu Li   +11 more
wiley   +1 more source

Estimation of Activity and Molar Excess Gibbs Energy of Binary Liquid Alloys Pb-Sn, Al-Sn and In-Zn from the Partial Radial Distribution Function Simulated by Ab Initio Molecular Dynamics

Metals
For the present, it is difficult to obtain thermodynamic data for binary liquid alloys by experimental measurements. In this study, the molecular dynamics processes of the binary liquid alloys Pb50-Sn50, Al50-Sn50, and In50-Zn50 were simulated by using ...
Tianao Zhang, Xiumin Chen, Yi Lu, Jiulong Hang, Dongping Tao   +4 more
doaj   +1 more source

surface excess Gibbs energy

, 2014
Citation: 'surface excess Gibbs energy' 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.S06176 • 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

The Excess Gibbs Free Energy of Adsorption of Sodium Dodecylbenzenesulfonate on Polystyrene Particles [PDF]

Langmuir, 1995
Adsorption of sodium dodecylbenzenesulfonate (SDBS) on polystyrene (PS) particles is described by the Langmuir equation only superficially: on closer look there are small but systematic differences with the expts. This is expressed here as an excess G function (GE) of the surfactant electrolyte on adsorption, which changes with increasing degree of ...
Tuin, G., Stein, H.N.
openaire   +2 more sources

Adaptive Gibbs samplers and related MCMC methods [PDF]

, 2011
We consider various versions of adaptive Gibbs and Metropolis- within-Gibbs samplers, which update their selection probabilities (and perhaps also their proposal distributions) on the y during a run, by learning as they go in an attempt to optimise ...
Rosenthal, Jeffrey S. (Jeffrey Seth), Łatuszyński, Krzysztof, Roberts, Gareth O.   +2 more
core  

Designing Vanadium‐Based Oxide Electrocatalysts for Water Splitting: Experimental and Mechanistic Insights with Machine Learning

Advanced Functional Materials, EarlyView.
This review establishes structure‐property‐mechanism relationships across six modification strategies for V‐based oxide water‐splitting electrocatalysts: lattice engineering, heteroatom doping, interface engineering, carbon‐based hybridization, morphology engineering, and surface reconstruction and pre‐catalyst design, where dissolution is reframed as ...
Youness El Issmaeli, Amina Lahrichi, Hoje Chun, Rafael Gómez‐Bombarelli, Bruno G. Pollet   +4 more
wiley   +1 more source

Physicochemical and catalytic behavior of binary mixtures of n-alkyl imidazolium bromide ionic liquids with poly (ethylene glycol)-400: Application of flory statistical theory

Chemical Physics Impact
In this work, Flory statistical theory is employed to predict the important physicochemical properties namely density, isothermal compressibility, internal pressure, coefficient of volume expansion, energy of vaporization, heat of vaporization, cohesive ...
Anup Kumar, Arun Upmanyu, Monika Dhiman, S.C. Sharma, Krishna Kumar Pandey, K.C. Juglan   +5 more
doaj   +1 more source

Covalent Functionalization of 2D Semiconductors: A Roadmap to Advanced Electronic Devices

Advanced Functional Materials, EarlyView.
This Review presents recent advances in the covalent functionalization strategies for two‐dimensional semiconductors and their implementation in modern technologies. Layered materials are modified through diverse molecular chemistries (e.g., thiols, diazonium salts, alkyl halides, and electron‐deficient species) to tailor their surface properties ...
Ramiro Quirós‐Ovies, Bin Han, Paolo Samorì   +2 more
wiley   +1 more source

Investigation of physicochemical properties of binary mixtures comprising propanoic acid quaternary-ammonium deep eutectic solvents at various temperatures

Chemical Thermodynamics and Thermal Analysis
This study systematically investigates the physicochemical properties of binary mixtures of propanoic acid with selected deep eutectic solvents (DESs), namely tetra butyl ammonium bromide + 3-amino-1-propanol (TBAB + AP), tetra butyl ammonium chloride ...
Narasimha Murthy V N, Venkata Rao V, Bala Narendra Prasad T, Ramanjaneyulu E, Venkateswara Rao P, G.S. Manukonda   +5 more
doaj   +1 more source