Excess chemical potential of dilute solutions of spherical polyelectrolytes

1974 ◽  
Vol 60 (7) ◽  
pp. 2721-2731 ◽  
Author(s):  
George D. J. Phillies
Keyword(s):  
Chemical Potential ◽  
Dilute Solutions ◽  
Excess Chemical Potential

scholarly journals Excess chemical potential of thiophene in [C4MIM] [BF4, Cl, Br, CH3COO] ionic liquids, determined by molecular simulations

RSC Advances ◽  
2021 ◽  
Vol 11 (47) ◽  
pp. 29394-29406
Author(s):  
Marco V. Velarde-Salcedo ◽  
Joel Sánchez-Badillo ◽  
Marco Gallo ◽  
Jorge López-Lemus
Keyword(s):  
Ionic Liquids ◽  
Chemical Potential ◽  
Molecular Simulations ◽  
Excess Chemical Potential

Excess chemical potential of thiophene in imidazolium-based ionic liquids [C4mim][BF4], [C4mim][Cl], [C4mim][Br], and [C4mim][CH3COO] determined by molecular simulations.

scholarly journals Chemical transferability of functional groups follows from the nearsightedness of electronic matter

2017 ◽  
Vol 114 (44) ◽  
pp. 11633-11638 ◽  
Author(s):  
Stijn Fias ◽  
Farnaz Heidar-Zadeh ◽  
Paul Geerlings ◽  
Paul W. Ayers
Keyword(s):  
Electron Density ◽  
Functional Groups ◽  
Chemical Potential ◽  
Dilute Solutions ◽  
Local Effects ◽  
Locality Principle ◽  
Potential Conditions

We establish the physical origins of chemical transferability from the perspective of the nearsightedness of electronic matter. To do this, we explicitly evaluate the response of electron density to a change in the system, at constant chemical potential, by computing the softness kernel, s(𝐫,𝐫′). The softness kernel is nearsighted, indicating that under constant-chemical-potential conditions like dilute solutions changing the composition of the molecule at 𝐫 has only local effects and does not have any significant impact on the reactivity at positions 𝐫′ far away from point 𝐫. This locality principle elucidates the transferability of functional groups in chemistry.

scholarly journals The Excess Chemical Potential of Water at the Interface with a Protein from End Point Simulations

2018 ◽  
Vol 122 (17) ◽  
pp. 4700-4707 ◽  
Author(s):  
Bin W. Zhang ◽  
Di Cui ◽  
Nobuyuki Matubayasi ◽  
Ronald M. Levy
Keyword(s):  
Chemical Potential ◽  
Excess Chemical Potential ◽  
End Point
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