Mechanochemistry harnesses mechanical force to facilitate chemical reactions. Traditionally, the field of polymer mechanochemistry has used methods to activate chemical bonds, which use forces that are larger than those that are required to break a covalen ...
Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...
Thermoset rubbers give rise to elastomers with tunable stiffness and high resilience but are not recyclable. Thermoplastic elastomers can address this problem but their broad applicability is impeded by either limited operating temperatures or inferior ela ...
Polymer brushes, which are polymers anchored to a solid substrate by one chainend, have the ability to modify the properties of an underlying substrate, offering
intriguing features such as enhanced lubrication, reduced friction, colloidal stability, and a ...
Supramolecular interactions play an important role in defining the structure and the resulting mechanical properties of materials. For instance, interchain hydrogen-bonding in PAs gives them superior strength and stiffness in engineering materials, while t ...
The wetting dynamics of molten thermoplastic polymers, which are known to influence the force balance of the triple line, are not understood properly despite their importance in many industrial processes. In particular, the influence of the molecular weigh ...
Thin polymer coatings present a method to modify the surface properties of underlying substrates. Polymer-coated surfaces have been used as anticorrosive materials, surfaces with special wetting properties, antifriction materials, and as materials for biom ...
Bio-based resins, obtained from renewable raw materials, are a more sustainable alternative to oil-based resins for fiber-reinforced polymer (FRP) composites. The incorporation of lignin in those resins has the potential to enhance their performance. This ...
Our planet has been challenged for years by our reckless use of fossil fuels, which has led to the ongoing climate change and energy crisis. The transition to the use of renewable alternative sources has now became urgent and inevitable. The valorization o ...
Singlet fission (SF) is a multiexciton-generating process whereby an excited state singlet (S1) is converted into two lower-energy triplets (T1). The inclusion of a SF-capable material into a photovoltaic device offers the potential for the absorption of p ...
The black liquor gasification integrated to chemical plants has shown potential for reducing the process irreversibility and promoting the decarbonization of this industrial sector. In the integrated chemical plants proposed in this work, the purpose is co ...
Recent work indicates that visual features are processed in a serially dependent manner: The decision about a stimulus feature in the present is influenced by the features of stimuli seen in the past, leading to serial dependence. It remains unclear, howev ...
In this paper the loaded polymer transport and its escape via a nanometer size aperture, virtually by nanomembrane, the polymer being moved by an exterior electrostatic field, has been studied. Assuming a linear dependency of the friction coefficient on th ...
Lignin is a renewable aromatic polymer that due to its abundance and unique chemical structure is a promising candidate to replace aromatic materials that are currently sourced from fossil oil. The same structure of lignin poses however drawbacks for its v ...
Elastomer composites are prepared by infiltrating polydimethylsiloxane (PDMS) into a porous ceramic structure of nanoparticles. This method differs from the conventional approach, where particles are dispersed into the polymer matrix, since here, the polym ...
Generating value, in the form of functional chemicals, from biomass is a critical need of today. It is expected that replacing petroleum with biomass as the source of many commodity and fine chemicals can lead the transition away from a fossil-fuel based e ...
In this work we study microwimmers, whether colloids or polymers, embedded in bulk or in confinement. We explicitly consider hydrodynamic interactions and simulate the swimmers via an implementation inspired by the squirmer model. Concerning the surroundin ...
Perovskite solar cells show great promise to serve as an alternative for traditional silicon-based solar cells, however several problems present obstacles for their commercialization. Standard perovskite cells contain lead, which is toxic to humans and har ...
The conventional configuration of a pulp mill, in which black liquor is concentrated and burnt, is compared to the upgrading gasification routes for methanol (MeOH) or dimethyl ether (DME) co-production. To this end, various exergy-based and environmental ...
Gene therapy offers the possibility to treat or even cure diseases originating from genetic defects by introducing a therapeutic gene in target cells or correcting the initial defective gene. Amongst different options, non-viral vectors rely on the deliver ...
