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• W2048733330 abstract "Abstract Summary: A computer simulation model is proposed to study film growth and surface roughness in aqueous (A) solution of hydrophobic (H) and hydrophilic (P) groups on a simple three dimensional lattice of size $L_x times L_y times L_z$ with an adsorbing substrate. Each group is represented by a particle with appropriate characteristics occupying a unit cube (i.e., eight sites). The Metropolis algorithm is used to move each particle stochastically. The aqueous constituents are allowed to evaporate while the concentration of H and P is constant. Reactions proceed from the substrate and bonded particles can hop within a fluctuating bond length. The film thickness ( $h$ ) and its interface width ( $W$ ) are examined for hardcore and interacting particles for a range of temperature ( $T$ ). Simulation data show a rapid increase in $h$ and $W$ followed by its non‐monotonic growth and decay before reaching steady‐state and near equilibrium ( $h_{rm s}, W_{rm s}$ ) in asymptotic time step limit. The growth can be described by power laws, e.g., $h propto t^{gamma}, W propto t^{beta}$ with a typical value of $gamma approx 2, beta approx 1$ in initial time regime followed by $gamma approx 1.5, beta approx 0.8$ at $T = 0.5$ . For hardcore system, the equilibrium film thickness ( $h_{rm s}$ ) and surface roughness ( $w_{rm s}$ ) seem to scale linearly with the temperature, i.e., $h_{rm s} = 6.206 + 0.302 T, W_{rm s} = 1,255 + 0.425 T$ at low $T$ and $h_{rm s} = 6.54 + 0.198 T, W_{rm s} = 1.808 + 0.202 T$ at higher $T$ . For interacting functional groups in contrast, the long time (unsaturated) film thickness and surface roughness, $h_{rm s}$ and $W_{rm s}$ decay rapidly followed by a slow increase on raising the temperature. Growth of the average film thickness at a temperature $T=5$ . magnified image Growth of the average film thickness at a temperature $T=5$ ." @default.
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• W2048733330 date "2006-04-10" @default.
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• W2048733330 title "Film Growth and Surface Roughness with Effective Fluctuating Covalent Bonds in Evaporating Aqueous Solution of Reactive Hydrophobic and Polar Groups: A Computer Simulation Model" @default.
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• W2048733330 doi "https://doi.org/10.1002/mats.200500064" @default.
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