Review on Interfacial Bonding Mechanism of Functional Polymer Coating on Glass in Atomistic Modeling Perspective

Abstract

Atomistic modeling methods are successfully applied to understand interfacial interaction in nanoscale size and analyze adhesion mechanism in the organic–inorganic interface. In this paper, we review recent representative atomistic simulation works, focusing on the interfacial bonding, adhesion strength, and failure behavior between polymer film and silicate glass. The simulation works are described under two categories, namely non-bonded and bonded interaction. In the works for non-bonded interaction, three main interactions, namely van der Waals interaction, polar interaction, and hydrogen bonds, are investigated, and the contributions to interfacial adhesion energy are analyzed. It is revealed that the most dominant interaction for adhesion is hydrogen bonding, but flexibility of the polymer film and modes of adhesion measurement test do affect adhesion and failure behavior. In the case of bonded interactions, the mechanism of covalent silane bond formation through condensation and hydrolysis process is reviewed, and surface reactivity, molecular density, and adhesion properties are calculated with an example of silane functionalized polymer. Besides interfacial interactions, effects of external conditions, such as surface morphology of the glass substrate and relative humidity on the adhesion and failure behavior, are presented, and modeling techniques developed for building interfacial system and calculating adhesion strengths are briefly introduced.

Self-Healing, Robust, Liquid-Repellent Coatings Exploiting the Donor–Acceptor Self-Assembly

“…There was 6.5- and 2-fold enhancement on glass substrates and PTFE, respectively, while an order of magnitude improvement was observed with metallic substrates. Aromatic groups stacking between donors and acceptors is the main reason resulting in such universal adhesion enhancements , and the drastic increase on metals, in particular copper, could be attributed to the formation of complex (such as Cu–O–C or Cu–N) between the acceptors and the metal.…”

“… 29 Through interchain self-assembly, polymers with electron donors or acceptors units at the chain ends have also been reported to achieve markedly improved mechanical characteristics and self-healing capability. 24 However, the enhancement of PU adhesion strength, which is due to a known feature of the aromatic group stacking during D–A self-assembly, 30 , 31 has not been investigated. Furthermore, despite its attractive properties, nonwetting surfaces based on this PU have also not been investigated.…”

Research on Integrated 3D Printing of Microfluidic Chips

“…At present, the fabrication process of microfluidic chips is mainly divided into the fabrication of microchannels and the packaging of microchannels [ 15 , 16 , 17 , 18 ]. When packaging microfluidic chips, the commonly used bonding methods are hot-pressing [ 19 , 20 , 21 ], plasma [ 22 , 23 ], high-temperature [ 24 , 25 ], and anode [ 26 ]. However, hot-pressing bonding requires the use of a polymer hot press for hot pressing, which will inevitably produce slight deformations.…”

Polymer Dynamics: Bulk and Nanoconfined Polymers

“…The kinetics of this physisorption is not well understood. The interfacial interactions including bonded interactions between polymers and silicate glasses was extensively investigated with atomistic modeling, as described in a review article in this Special Issue [ 8 ]. The influences of surface morphology and ambient humidity were also demonstrated.…”