Quantum chemical calculations of various azobenzene (AB) derivatives have been carried out with the goal to describe the energetics and kinetics of their thermal cis f trans isomerization. The effects of substituents, in particular their type, number, and positioning, on activation energies have been systematically studied with the ultimate goal to tailor the switching process. Trends observed for mono-and disubstituted species are discussed. A polarizable continuum model is used to study, in an approximate fashion, the cis f trans isomerization of azobenzenes in solution. The nature of the transition state(s) and its dependence on substituents and the environment is discussed. In particular for push-pull azobenzenes, the reaction mechanism is found to change from inversion in nonpolar solvents to rotation in polar solvents. Concerning kinetics, calculations based on the Eyring transition state theory give usually reliable activation energies and enthalpies when compared to experimentally determined values. Also, trends in the resulting rate constants are correct. Other computed properties such as activation entropies and thus preexponential rate factors are in only moderate agreement with experiment.
This publication investigates the adhesion between an injection molded component and a self-reinforced composite (SRC) produced in a combined compaction and back-injection process to produce back-injected self-reinforced composites. To study the influence of the process, the parameters barrel temperature, time of injection, and tool temperature were varied. In addition, samples were taken at different positions along the flow path. In light of the orthotropic material behavior of SRCs, investigations were conducted to see whether different loading cases lead to different mechanical behavior. Shear-off and pull-off tests revealed a different strength as a function of the loading type. In the shear-off tests, a mean strength of 11.37 MPa was recorded over the entire test series, while the measured mean strength in the pull-off tests is considerably lower, 4.04 MPa. The type of failure is determined with the aid of SEM images, and the influence of the microstructure of the thermoplastic fibre materials on the adhesion is set out. It is shown that, as of a sufficiently high level of adhesion, failure occurs within the fibres.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.