Entropy-driven self-assembly of nanoparticles into strings

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• 作者：Yves Termonia ; ^{yves.termonia@usa.dupont.com" class="auth_mail}
• 关键词：Modeling ; Nanoparticles ; Self assembly
• 刊名：Colloids and Surfaces A: Physicochemical and Engineering Aspects
• 出版年：5 April, 2014
• 年：2014
• 卷：447
• 期：Complete
• 页码：23-27
• 全文大小：1527 K

文摘

Entropy calculations based on the Boltzmann equation reveal that well dispersed systems of nanoparticles have lower entropy than those in which the particles self-assemble into strings which behave as self-avoiding walks (SAWs). These predictions are verified against actual Monte Carlo simulations of the thermal random motion of nanoparticles in solution and in polymer melts. In both systems, simulations indicate a spontaneous aggregation into strings of n particles whose radius of gyration R_g(n) scales as n^0.6, as in SAWs. Interestingly, we also observe that the number distribution of string sizes n, weighted by their corresponding gyration volume R_g(n)³, closely follows the entropy profile for SAWs of length n.