Highlights with ‘polymers’

Understanding biological matrix composites using ReaxFF Simulations

Sustainable composite materials are becoming more sought after and especially the development of novel degradable biocomposites from biological matter is a promising pathway to answering the increasing global demand for sustainable materials. Roumeli et al....

ReaxFF videos on polymer properties: CTE, Tg

Have a look at these two new videos demonstrating the tutorials for modeling the glass transition temperature and the thermal expansion coefficients of thermoset polymers.

Strategic partnership Kebotix and SCM to accelerate materials innovation

To boost our materials discovery solutions, we join forces with Kebotix, experts in secure, scalable, AI-accelerated workflows (press release). SCM and Kebotix are developing an integrated software platform to enable researchers to develop new and...

Reversing fatigue in carbon-fiber reinforced vitrimer composites

To address the irreversibility of fatigue in polymer composites, a recent study showed that vitrimeric polymers can be used to reverse the fatigue damage through topological rearrangement of the marcomolecular network, self-healing the polymers. To...

Reparametrization of COSMO-RS for (polymer) ionic liquids

COSMO-based model for gas solubility in polymer ionic liquids (2021 paper) Gas solubility in polymers plays an important role in processing advanced polymer materials. An important and relatively unexplored class of polymers is polymer ionic...

Accelerated ReaxFF simulations of biodegradation of polymers

Biodegradable polymers with elastic properties have gained tremendous attention in the field of tissue engineering. Polyesters are prevalent biomaterials used for fabricating scaffolds for bone tissues. Recently, the reactivity of hexanediol-co-citric acid was studied using...

Palladium makes PVC industry greener

Poly vinyl chloride (PVC) is one of the most widely used polymers with low cost and outstanding performance, which is synthesized through free radical polymerization reaction of vinyl chloride monomer (VCM). Currently, activated carbon (AC)...

SCM at Physics@Veldhoven

Going to the Physics@Veldhoven meeting? Don’t miss the SCM table at the “sponsorplein” (Meijerij Foyer) or make a speed date appointment (Limburg Foyer) for Wednesday 22nd! Stan and Mirko would love to discuss how the Amsterdam...

SCM at AIChE, Orlando

Come and talk to Nick about your chemical engineering challenges at the annual AIChE meeting mid-November in Orlando. At the SCM booth (#143) he’ll be happy to discuss how the COSMO-RS module in the Amsterdam...

Webinar: Bridging Computations and Real-World Examples

Thomas gave an overview of the Amsterdam Modeling Suite for the Latin American theoretical chemistry community. With applications to organic electronics, batteries and polymers. Watch it back on youtube!