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CHEM01200604005 A. K. Pathak - Homi Bhabha National Institute

CHEM01200604005 A. K. Pathak - Homi Bhabha National Institute

CHEM01200604005 A. K. Pathak - Homi Bhabha National Institute

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σqV R based on the assumption that as the solute and solvent size ratio V R or numerical<br />

value of the charge q becomes very large, only then solvent molecules near to the surface<br />

mainly contribute to the solvation energy. In this limit i.e. lim(q, V R ) →<br />

, ∆E VDE (n) or<br />

∆E ADE (n) → ∆E DE ∞ or ∆E DE ∞ . It is thus very clear from Eqs.(27) and (28) that<br />

when n>> , they respectively converge to Eqs.(16) and (17) valid for clusters of large<br />

size. Eqs. (16), (17), (27) and (28) are the main new results of the present work.<br />

It is worthwhile to obtain a relation between the coefficients <br />

and as<br />

well as and . In order to derive an expression, let us assume that in the<br />

asymptotic limit i.e. say at n = n m , ∆E VDE (n m +1) = ∆E VDE (n m ) and ∆E ADE (n m +1) = ∆E<br />

ADE (n m ), and obtain thereby the relations<br />

M <br />

DE<br />

M <br />

DE= -<br />

<br />

<br />

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