We report molecular dynamics simulations of a gel-forming mixture of ellipsoidal patchy particles with different functionality. We show that in this model, which disfavors the formation of bond-loops, elapsed time during irreversible aggregation-leading to the formation of an extended network-can be formally correlated with equilibrium temperature in reversible aggregation. We also show that it is possible to develop a parameter-free description of the self-assembly kinetics, bringing reversible and irreversible aggregation of loopless branched systems to the same level of understanding as equilibrium polymerization.

Connecting Irreversible to Reversible Aggregation: Time and Temperature / S., Corezzi; DE MICHELE, Cristiano; E., Zaccarelli; Tartaglia, Piero; Sciortino, Francesco. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - STAMPA. - 113:5(2009), pp. 1233-1236. [10.1021/jp809031d]

Connecting Irreversible to Reversible Aggregation: Time and Temperature

DE MICHELE, CRISTIANO;TARTAGLIA, Piero;SCIORTINO, Francesco
2009

Abstract

We report molecular dynamics simulations of a gel-forming mixture of ellipsoidal patchy particles with different functionality. We show that in this model, which disfavors the formation of bond-loops, elapsed time during irreversible aggregation-leading to the formation of an extended network-can be formally correlated with equilibrium temperature in reversible aggregation. We also show that it is possible to develop a parameter-free description of the self-assembly kinetics, bringing reversible and irreversible aggregation of loopless branched systems to the same level of understanding as equilibrium polymerization.
irreversible aggregation; mixture; patchy ellipsoids; polymers
01 Pubblicazione su rivista::01a Articolo in rivista
Connecting Irreversible to Reversible Aggregation: Time and Temperature / S., Corezzi; DE MICHELE, Cristiano; E., Zaccarelli; Tartaglia, Piero; Sciortino, Francesco. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - STAMPA. - 113:5(2009), pp. 1233-1236. [10.1021/jp809031d]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/361193
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