Two-Dimensional Aggregation of Species with Weak and Strong Bonding Interactions: Modeling the Growth of Self-Assembled Alkylsiloxane Monolayers
A simple 2-dimensional model for the growth of self-assembled alkylsiloxane monolayers on hydroxylated substrates is suggested, which, for the 1st time, takes the principal weak and strong bonding interactions of the aggregating species into account. The model considers the adsorption, diffusion, vertical grafting, and lateral crosslinking of preordered alkylsilanol clusters. All model parameters are adjusted to exptl. ests. of the resp. rate consts. Despite the simplicity of the model, the simulations qual. reproduce many morphol. aspects of the exptl. obsd. island growth and provide a simple explanation for the deviations from 1st-order Langmuir adsorption kinetics obsd. in various ex situ studies.
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