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Entropy charge

Maximum Entropy charge density studies Bayesian viewpoint and test applications... [Pg.12]

Iversen, B.B., Jensen, J.L. and Danielsen, J. (1997) Errors in maximum-entropy charge-density distributions obtained from diffraction data, Acta Cryst., A53, 376-387. [Pg.36]

Thus there are two factors responsible for the maximum in the solvent entropy and its deviation from the pzc. Those parameters are the different configurations the monomers and dimers are able to assume on the surface of the electrode, and that, as we discussed above, depend on the free energy associated with each configuration [Fig. 6.85(a)]. The second parameter is related to the entropy of libration, i.e., how the water molecules oscillate and how these oscillations arc affected by the electrode charge [Fig. 6.85(b)]. The vibrational movements of the molecule do notgivatly affect the position of the maximum in the entropy-charge curve. [Pg.198]

The structural parameters of cation-exchanged montmorillonites prepared from calcium-montmorillonite (Istenmezeje) are listed in Table 2.3. As seen in Table 2.3, the basal pacing of monovalent montmorillonite is approximately 1.25 nm, and the water content is approximately 1%. It means that there is one layer of water in the interlayer space. For bivalent montmorillonite, both basal spacing (>1.5 nm) and water content (>10%) are higher, showing two layers of water molecules in the interlayer space. The basal spacing of Pb-montmorillonite is 1.254 nm, which is similar to the value characteristic of monovalent montmorillonite (1.241 nm). However, it does not mean that lead is sorbed on the surface of montmorillonite as monovalent cation since the other parameters that are determined by the distance between the layers (hydration entropy, charge/ion radius value, water content in the interlayer space) lie between the values for bivalent and monovalent cations (Foldvari et al. 1998). [Pg.96]

Conformational Entropy Charge-Charge Interactions Internal Hydrogen Bonds (Figure 6.21) van der Waals Interactions (Table 6.3)... [Pg.2455]

Small entropy charge is isotropic with many growth sites. An example is the growth of a metal from the melt. [Pg.235]

Entropy charge A measure of the change in the disorder of a system as it undergoes chemical reaction or physical change... [Pg.567]

Equation (13) disregards entropy effects. The medium rearrangement process accompanying electron localization is associated with an entropy charge Thus the free energy of medium rearrangement processes is... [Pg.154]

A quantitative evaluation of the assembly process will be necessary to make ESA a practical commercial method. ESA is also influenced by a variety of factors that may be difficult to control, such as polymer entropy, charge transfer interactions and hydrogen bonding. No single theory has been developed to completely describe the deposition process. However, a variety of seminal studies have clarified many aspects of the ESA method. ... [Pg.431]

A general prerequisite for the existence of a stable interface between two phases is that the free energy of formation of the interface be positive were it negative or zero, fluctuations would lead to complete dispersion of one phase in another. As implied, thermodynamics constitutes an important discipline within the general subject. It is one in which surface area joins the usual extensive quantities of mass and volume and in which surface tension and surface composition join the usual intensive quantities of pressure, temperature, and bulk composition. The thermodynamic functions of free energy, enthalpy and entropy can be defined for an interface as well as for a bulk portion of matter. Chapters II and ni are based on a rich history of thermodynamic studies of the liquid interface. The phase behavior of liquid films enters in Chapter IV, and the electrical potential and charge are added as thermodynamic variables in Chapter V. [Pg.1]

Water-soluble globular proteins usually have an interior composed almost entirely of non polar, hydrophobic amino acids such as phenylalanine, tryptophan, valine and leucine witl polar and charged amino acids such as lysine and arginine located on the surface of thi molecule. This packing of hydrophobic residues is a consequence of the hydrophobic effeci which is the most important factor that contributes to protein stability. The molecula basis for the hydrophobic effect continues to be the subject of some debate but is general considered to be entropic in origin. Moreover, it is the entropy change of the solvent that i... [Pg.531]

NMR signals of the amino acid ligand that are induced by the ring current of the diamine ligand" ". From the temperature dependence of the stability constants of a number of ternary palladium complexes involving dipeptides and aromatic amines, the arene - arene interaction enthalpies and entropies have been determined" ". It turned out that the interaction is generally enthalpy-driven and counteracted by entropy. Yamauchi et al. hold a charge transfer interaction responsible for this effect. [Pg.89]

To conclude this section let us note that already, with this very simple model, we find a variety of behaviors. There is a clear effect of the asymmetry of the ions. We have obtained a simple description of the role of the major constituents of the phenomena—coulombic interaction, ideal entropy, and specific interaction. In the Lie group invariant (78) Coulombic attraction leads to the term -cr /2. Ideal entropy yields a contribution proportional to the kinetic pressure 2 g +g ) and the specific part yields a contribution which retains the bilinear form a g +a g g + a g. At high charge densities the asymptotic behavior is determined by the opposition of the coulombic and specific non-coulombic contributions. At low charge densities the entropic contribution is important and, in the case of a totally symmetric electrolyte, the effect of the specific non-coulombic interaction is cancelled so that the behavior of the system is determined by coulombic and entropic contributions. [Pg.835]


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See also in sourсe #XX -- [ Pg.235 ]

See also in sourсe #XX -- [ Pg.235 ]




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