Hagan, M. F., Elrad, O. M. and Jack, R. L., 2011. Mechanisms of kinetic trapping in self-assembly and phase transformation. Journal of Chemical Physics, 135 (10), 104115.
In self-assembly processes, kinetic trapping effects often hinder the formation of thermodynamically stable ordered states. In a model of viral capsid assembly and in the phase transformation of a lattice gas, we show how simulations in a self-assembling steady state can be used to identify two distinct mechanisms of kinetic trapping. We argue that one of these mechanisms can be adequately captured by kinetic rate equations, while the other involves a breakdown of theories that rely on cluster size as a reaction coordinate. We discuss how these observations might be useful in designing and optimising self-assembly reactions.
|Item Type ||Articles|
|Creators||Hagan, M. F., Elrad, O. M. and Jack, R. L.|
|Departments||Faculty of Science > Physics|
|Publisher Statement||Jack_Jrnl-Chemical-Physics_2011_135_104115.pdf: Copyright (2011) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Hagan, M. F., Elrad, O. M. and Jack, R. L., 2011. Mechanisms of kinetic trapping in self-assembly and phase transformation. Journal of Chemical Physics, 135 (10), 104115 and may be found at http://dx.doi.org/10.1063/1.3635775|
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