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Modeling Pressure Sensitive Adhesives

Sungu Hwang, Mario Blanco, and William A. Goddard, III
Materials and Process Simulation Center, Beckman Institute (139-74),
California Institute of Technology, Pasadena, California 91125

Dennis Saunders, and Robert S. Dordick
Avery Research Center, Pasadena, California 91107


We used molecular dynamics (MD) simulations to obtain an atomistic description of the peel process of pressure-sensitive adhesive (PSA) from its release coated material. The adhesive layer was composed of poly(n-butyl acrylate) and tackifier, and the release coated layer was silicone network polymer prepared from silicon hydride and a, w-divinyl-terminated poly(dimethylsiloxane) (PDMS). We applied uniform strain rates up to 5 meters/sec to simulate the peel process. The effect of the cross-linking density, and the presence of controlled release additive on the peel force was examined by applying the MD simulations on the various samples of the PSA/release coating interface.

The simulations lead to performance mimicking experimental results. The simulations provide additional understanding of the atomistic effects underlying pressure sensitive adhesives.

This work was supported by Avery Dennison. Some calculations were carried out at Avery Research Center.

Scheme 1. Simulation of the peeling process

Scheme 2. Stepwise elongation of the polymer box

Figure 1. Results of the MD simulations

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