Uniqueness of chemical equilibria in ideal mixtures of ideal gases

2008 ◽  
Vol 76 (9) ◽  
pp. 848-855 ◽  
Author(s):  
Joseph M. Powers ◽  
Samuel Paolucci
Author(s):  
William H. Brock

By the mid-19th century many different kinds of chemical change had been recognized and systematized in textbooks. It became the task of physical chemists to explain these different transformations in terms of exchanges between atoms and molecules powered by energy changes and the shifts in equilibrium that underlay all reactivity. Physical chemists found ways of expressing chemical change in mathematical terms and so brought generalization and systematization to chemical practice. ‘Reactivity’ considers the conditions for chemical equilibria and the mechanisms involved in chemical reactions by discussing concepts such as thermodynamics, periodicity, spectroscopy, ideal gases, Boyle’s law, electrolysis, ionic theory, kinetics, and inert gases.


Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3763
Author(s):  
Poul Erik Hansen

This review outlines methods to investigate the structure of natural products with emphasis on intramolecular hydrogen bonding, tautomerism and ionic structures using NMR techniques. The focus is on 1H chemical shifts, isotope effects on chemical shifts and diffusion ordered spectroscopy. In addition, density functional theory calculations are performed to support NMR results. The review demonstrates how hydrogen bonding may lead to specific structures and how chemical equilibria, as well as tautomeric equilibria and ionic structures, can be detected. All these features are important for biological activity and a prerequisite for correct docking experiments and future use as drugs.


1989 ◽  
Vol 176 ◽  
Author(s):  
P.L. Brown ◽  
A. Haworth ◽  
R. McCrohon ◽  
S.M. Sharland ◽  
C.J. Tweed

ABSTRACTA joint experimental and modelling programme is reported, which aims to improve our understanding of sorption processes of radionuclides onto repository materials. Diffusion/sorption experiments of sorption onto cement are described, although results are limited at this stage. The modelling studies use the coupled chemical equilibria and transport code CHEQMATE to simulate some of these experiments. The chemical part of the model is based on a simple mass-action model of sorption. More detailed comparisons will continue when the experiments are terminated, and the samples are sectioned.


2010 ◽  
Vol 91 (6) ◽  
pp. 67003 ◽  
Author(s):  
J. Polonyi
Keyword(s):  

2019 ◽  
Author(s):  
Maria PEDONE ◽  
Eleonora Ammannito ◽  
Christina Plainaki ◽  
Maria Cristina De Sanctis ◽  
Andrea Raponi ◽  
...  

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