The worldwide turnover of the chemicals industry in 2017 is estimated at 2 to 5 trillion Euros. Chemicals cover an extensive range of products, from polymers to surfactants to biochemicals. The market mainly focusses on business to business, which creates more attention to the need for long-term research. Returning issues are ways to find more optimal process conditions for existing products for example by the introduction of green chemistry. Another issue is discovering more suitable chemicals to be sold to business and consumer end-users.
Over the years, Culgi has developed great expertise in studying various classes of chemicals, such as polymers, adhesives, porous materials and synthetic membranes. This has been obtained in doing several industrial projects on these subjects.
For more information, check out some of our applications below.
Silicon hydrogels can be applied as contact-lenses. Such lensing systems need to combine a few properties that are not easy to combine. The lens needs to be high in water content for comfort, but too much water can lead to bacterial growth. The lens needs to be high in oxygen permeability, but mechanically stable.
CULGI has developed a multiscale model, that takes arbitrary monomers as input, and generates a full 3D cross-linked structure as a result. The fabric is then used in a post-processing step for calculation of transport and mechanical properties.
Polyaramide polymers, such as Kevlar, are among the most robust polymers known. The polymers are spun from a concentrated sulfuric acid bath and woven into fibers. They find their applications in many products, such as composite materials for automotives, aerospace and military. CULGI has made a 3D model for the reactive processing of the polymers, starting from a quantum model for a small part of a chain. The coarse-grained 3D condensation reaction model generates a distribution of polymers, depending on solvent conditions. The concentrated solution is then used as input for a micro-rheological model that mimics the conditions in the spinnerette.
POLYOLEFINE POLYMER BLEND
Polyolefines are versatile polymers, that, while made up of only carbon and hydrogen, can be made into a range
Composite materials of polypropylene and polyethylene are particularly interesting because of a combination of cheap manufacturing by reactive processing, and material properties.
CULGI has been involved in making a model for the reactive process, and the resulting blend morphology. The agreement with experimental result is striking. In the application, we use our proprietary phase-field methods (dynamic density functional methods), that can reach lengthscales of a few microns.
We have a documentation archive with many more projects with more details. If you are interested in receiving a copy, please contact us.