@article{adhikari_jani_hsiao_rojas_khan_2021, title={Interfacial Contributions in Nanodiamond-Reinforced Polymeric Fibers}, volume={125}, ISSN={["1520-5207"]}, url={https://doi.org/10.1021/acs.jpcb.1c03361}, DOI={10.1021/acs.jpcb.1c03361}, abstractNote={We study the interfacial energy parameters that explain the reinforcement of polymers with nanodiamond (ND) and the development of mechanical strength of electrospun ND-reinforced composites. Thermodynamic parameters such as the wettability ratio, work of spreading and dispersion/aggregation transition are used to derive a criterion to predict the dispersibility of carboxylated ND (cND) in polymeric matrices. Such a criterion for dispersion (Dc) is applied to electrospun cND-containing poly(vinyl alcohol) (PVA), polyacrylonitrile (PAN), and polystyrene (PS) fiber composites. The shifts in glass transition temperature (ΔTg), used as a measure of polymer/cND interfacial interactions and hence the reinforcement capability of cNDs, reveal a direct correlation with the thermodynamic parameter Dc in the order of PAN < PS < PVA. Contrary to expectation, however, the tensile strength of the electrospun fibers correlates with the Dc and ΔTg only for semicrystalline polymers (PAN < PVA) while the amorphous PS displays a maximum reinforcement with cND. Such conflicting results reveal a synergy that is not captured by thermodynamic considerations alone but also factor in the contributions of polymer/cND interface stress transfer efficiency. Our findings open the possibility for tailoring the interfacial interactions in polymer-ND fiber composites to achieve maximum mechanical reinforcement.}, number={36}, journal={JOURNAL OF PHYSICAL CHEMISTRY B}, publisher={American Chemical Society (ACS)}, author={Adhikari, Prajesh and Jani, Pallav K. and Hsiao, Lilian C. and Rojas, Orlando J. and Khan, Saad A.}, year={2021}, month={Sep}, pages={10312–10323} }