Phys.org March 18, 2021
Denser phases and the complexity of the freezing liquids into solids are a challenge for computational modelling. Researchers in the UK developed novel computational approaches to study wax which has multiple frozen arrangements. Using their method, they were able to predict its melting point within 2°C of the experimental value. Like waxes, oils such as diesel fuel can also freeze at many stages and exhibit different solid properties. Therefore, methods to predict the molecular and atomic intricacies of liquid transitions to different types of ‘solid’ oils could have several potential real-world applications, from helping better predict freezing of oil pipelines (and preventing oil spills), to developing better smart insulation and energy storage. The technique can lead to lighter, stronger-than-steel polymers, and help to improve understanding of artificial morphogenesis…read more. TECHNICAL ARTICLE
Graphical abstract. Credit: J. Phys. Chem. B 2021, XXXX, XXX, XXX-XXX, March 16, 2021Â