Case Studies

Among them, dispersants are used to suspend oil-insoluble oxidation products and carbonaceous particulate contaminants (soot) in the bulk oil. Furthermore detergents are utilized to neutralize the acidic species generated during fuel combustion and to hamper the formation of deposits onto the metallic parts of the engine. Both classes of additives are studied and produced in ENI R&M and a significant activity is directed towards the characterization of Polyisobutenyl-succinimides (or PIBSI) and Over based Detergents which are some of the most important representatives of these classes of products. From a general point of view, a molecular simulation approach to the oil additives contributes to a long-term effort to understand the molecular basis of their action, helping the development of new substances with improved properties... Read More

Supporting the Design of Ice-Repelling Coatings by Molecular Dynamics Simulations.

Many industries including the wind-energy and aviation sectors are challenged by ice accretion on surfaces. The ice formation is, for example, disadvantageous for the aerodynamic efficiency; it increases maintenance costs or necessitates expensive ice removal procedures such as the de-icing of aircraft wings by means of organic fluids. In the past, the research on ice repelling surfaces and coatings has mainly relied on empirical approaches including extensive experimental ice-adhesion tests for numerous coatings and surfaces. However, an extensive understanding of the inter atomic interactions between ice and technical surfaces is necessary in order to gain a deep insight into the fundamental mechanisms relevant for the design of novel ice-repelling surfaces. In particular, molecular simulations can provide the required information on icing on solids... Read More