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Hansen Solubility Parameters in Practice: Getting the most from HSP(iP)
November 30, 2020 from 9:00 am — 10:00 am
Zoom Webinar with Steven Abbott
Ipswich, United Kingdom
Over 50 years, HSP have proven their wide utility in solubility-related issues despite their relatively humble intellectual underpinning in Regular Solution Theory. Part of their success has been their pragmatic approach: “If it works, great, if it fails then maybe it’s telling us something interesting”. HSP are as useful for nanoparticle formulation as for controlled release pharmaceuticals as for green solvent optimisation. Within the HSPiP package there is the ability to predict many properties from SMILES or MolFile inputs. What is interesting is that the quality of those predictions are relatively high because they aren’t just random QSARs, they are usually pinned back to the core HSP values via a chain of logic. More recently the package has been linked to the powerful Scheutjens-Fleer (Self-consistent Field) theory enabling more complex understanding of particle/polymer/di-block/micelle interactions rooted in χ parameters via HSP values.
In this talk we explore how HSP can fit into the wider infrastructure of the Energy Institute’s multiscale modelling capabilities. In addition to a tutorial on some of the key (relevant) features of HSPiP, the aim is to take live challenges from the team to see how it might handle issues such as green chemical substitution and other areas of current interest.
Professor Steven Abbott has a chemistry PhD from Oxford/Harvard and did a post-doc at the Nobel Prize winning lab of Prof Jean-Marie Lehn in Strasbourg. He spent 30 years developing new products in industry (and became a Visiting Prof at U Leeds via strong academic/industrial links) before becoming independent and therefore able to find the time to ‘appify’ a wide range of scientific ideas in adhesion, solubility, surfactants, rheology, particles and to write free eBooks with active links to the apps. He consults and trouble-shoots around the world. He welcomes challenges from the audience so the talk will include plenty of time for lively discussion.
Learn more at www.stevenabbott.co.uk
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