Scaled Particle Theory Study of the Length Scale Dependence of Cavity Thermodynamics in Different Liquids

2006 ◽  
Vol 110 (23) ◽  
pp. 11421-11426 ◽  
Author(s):  
Giuseppe Graziano
Keyword(s):  
Scale Dependence ◽  
Scaled Particle Theory ◽  
Length Scale ◽  
Particle Theory

scholarly journals Use of scaled-particle theory in the assessment of the Ph4As+/Ph4B− assumption for single ions

1979 ◽  
Vol 57 (1) ◽  
pp. 71-76 ◽  
Author(s):  
Michael H. Abraham ◽  
Asadollah Nasehzadeh
Keyword(s):  
Free Energy ◽  
Recent Work ◽  
Scaled Particle Theory ◽  
Cavity Formation ◽  
Energy Term ◽  
Free Energies ◽  
Particle Theory ◽  
Novel Method ◽  
Energy Of Interaction ◽  
Solvent Molecules

A novel method for the assessment of the Ph4As+/Ph4B− assumption for free energies of transfer of single ions has recently been suggested by Treiner, and used by him to deduce that the assumption is not valid for transfers between water, propylene carbonate, sulpholane, dimethylsulphoxide, N-methyl-2-pyrrolidone, and perhaps also dimethylformamide. The basis of the method is the estimation of the free energy of cavity formation by scaled-particle theory, together with the hypothesis that the free energy of interaction of Ph4As+ (or Ph4B−) with solvent molecules is the same in all solvents, ΔGt0(int) = 0. It is shown in the present paper that (a) whether or not the Ph4As+/Ph4B− assumption applies to transfer to a given solvent depends on which other solvent is taken as the reference solvent in Treiner's method, (b) the calculation of the cavity free energy term by scaled-particle theory and by the theory of Sinanoglu – Reisse – Moura Ramos (SRMR) yields values so different that the method cannot be considered reliable, (c) the calculation of cavity enthalpies and entropies for Ph4As+ or Ph4B− by scaled-particle theory yields results that are chemically not reasonable, (d) the hypothesis that ΔGt0(int) = 0 conflicts with SRMR theory, and (e) the conclusions reached by Treiner are not in accord with recent work that in general supports the Ph4As+/Ph4B− assumption for solvents that are rejected by Treiner.

A Study on Length Scale Effects on Indentation Delamination of Thin Films

2004 ◽  
Author(s):  
W. Li ◽  
S. Qu ◽  
T. Siegmund ◽  
Y. Huang
Keyword(s):  
Plastic Deformation ◽  
Strain Gradient ◽  
Cohesive Zone ◽  
Cohesive Zone Model ◽  
Scale Effects ◽  
Scale Dependence ◽  
Zone Model ◽  
Length Scale ◽  
Gradient Plasticity ◽  
Elastic Substrates

Simulations of indentation delamination of ductile films on elastic substrates are performed. A cohesive zone model accounts for initiation and growth of interface delaminations and a strain gradient plasticity framework for the length scale dependence of plastic deformation. With the cohesive zone model and the strain gradient formulation two length scales are introduced in to the analysis.

Length-Scale Dependence of Hydration Free Energy: Effect of Solute Charge

2011 ◽  
Vol 145 (2) ◽  
pp. 253-264 ◽  
Author(s):  
Jihang Wang ◽  
Dusan Bratko ◽  
Alenka Luzar
Keyword(s):  
Free Energy ◽  
Scale Dependence ◽  
Length Scale ◽  
Hydration Free Energy ◽  
Energy Effect

scholarly journals Temperature and length scale dependence of solvophobic solvation in a single-site water-like liquid

2013 ◽  
Vol 138 (6) ◽  
pp. 064506 ◽  
Author(s):  
John R. Dowdle ◽  
Sergey V. Buldyrev ◽  
H. Eugene Stanley ◽  
Pablo G. Debenedetti ◽  
Peter J. Rossky
Keyword(s):  
Scale Dependence ◽  
Single Site ◽  
Length Scale ◽  
Site Water
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