Molecular Mechanics of Organic Composite Materials: A Case Study of Cellulose-Adhesive System

摘要

Organic composite materials can be readily found in our daily life, such as plywood used in construction industry and bamboo composites as indoor and outdoor flooring materials. These organic composite material systems consist of cellulose fibers bonded with each other through adhesives, leading to a bonded system with a gradient structure that possesses a unique structural behavior which has a great potential to be used as load-bearing building materials. In view of the manufacturing process of such composite material systems and the structure in-between the cellulose fibers and the adhesives, the interfacial adhesion of such systems at multiscale would play a major role in determining their capability in load-bearing structural applications. In this research work, the interface between cellulose fiber and phenol-formaldehyde adhesive is chosen as a representative of the organic composite material system and molecular dynamics simulation is used for quantifying their mechanical properties and the corresponding interfacial adhesion. Here we demonstrate that cellulose fiber has a strong affinity to a phenol-formaldehyde adhesive with an adhesion energy of 151.3 mJ/m~2. To the best of our knowledge, this is the first study that reports this material property for cellulose-adhesive system, which is three times larger than that between the gecko foot's hair and the mineral surface. The mechanism of such strong adhesion is due to the possible hydrogen bonding between the cellulose and the adhesive.