Fundamental Investigation of Biomass Interaction for Green Composites: Experiments and Molecular Dynamics Simulations

Abstract

Understanding biomass interaction is critical for bottom‐up design of novel biocomposites and existing manufacturing processes. In this study, interactions between bioadhesives (lignin, carbohydrates, or proteins) and fibers (cellulosic fiber or wood fiber) are elucidated via experimental bonding strength tests and molecular dynamics (MD) simulations. Experimental results reveal a good, nearly linear correlation between the composite's density and tensile strength, a finding which has rarely been reported previously. Adhesives are compared to one another: soy protein isolate is found to be the best for pinewood fiber, while apple pectin and soy protein isolate are the best for α‐cellulose fiber. It is further shown that the fiber type plays an important role in defining the composite strength. In agreement with experiments, the MD simulations at nanoscale predict a linear strength to density correlation; this is driven by the hydrogen bond (H‐bond) content in the composite. The H‐bond content is also found to determine the varied performances of different adhesives.

Organic waste valorisation towards circular and sustainable biocomposites

“…Instead of searching for new solutions, composites (formed by a combination of well-developed materials) are the subject of different studies due to their capability of merging the advantages of their components. 128 A variety of biopolymers, reported to be used as matrices derived from biowastes, suffer in general from a lack in intrinsic properties (i.e., mechanical, thermal, optical properties and so on). So, in order to improve the properties of these biopolymeric matrices and maintain a fully green approach, either organic or biologically synthesized fillers derived from different wastes can be used.…”

“…Instead of searching for new solutions, composites (formed by a combination of well-developed materials) are the subject of different studies due to their capability of merging the advantages of their components. 128 A variety of biopolymers, reported to be used as matrices derived from biowastes, suffer in general from a lack in intrinsic properties ( i.e. , mechanical, thermal, optical properties and so on).…”

Bioadhesive Design Toward Renewable Composites: Adhesive Distribution and Molecular Adhesion

“…In the recent years, concerns for sustainability have increased for scientists and engineers. [1][2][3][4][5][6][7] Additionally, many countries have established ambitious timetables to reach carbon emission neutrality goals. Nevertheless, fossil fuel-based plastics continue to pollute aquatic and terrestrial landscapes, as they have been for decades, due to their poor degradability and robust mechanical properties.…”

“…Soy protein-based bioadhesives have been studied most since soy protein is readily available and performs better than other biopolymers such as starches. [1,12,13] Improvements in the interactions of soy protein adhesives with wood materials, as well as addressing poor water resistance, have been actively pursued, including through modification/polymerization with a small amount of synthetic compounds (such as epoxy precursors) at elevated temperature to introduce crosslinking. [14][15][16] There is still work to be done to determine the reaction mechanisms between soy protein and crosslinkers and learn more about the interactions between the adhesive and fibers, since weak interactions such as hydrogen bonds and metal coordinate bonds could play key roles in the properties and performances of biobased materials.…”

Advanced Green Thermoset Resin Tailored for Nanocellulose‐Based Filament‐Reinforced Polymer Composite and Sustainable Development

“…[ 5,6 ] Green composites derived from renewable resources with low carbon footprints and outstanding multifunctional properties remain essential in the quest for sustainability. [ 6,7 ] With the prevailing economic and environmental concerns on white pollution, transformation into a green economy remains significant. This transformation can be met by synthesizing advanced high‐performance green resins tailored for natural fiber composites.…”