Pierre Walker
Pierre Walker
Interesting new paper which extends SAFT-VR Mie using renormalisation methods: https://pubs.acs.org/doi/10.1021/acs.iecr.2c02004 This is a common strategy that's been used in SAFT-VR SW and soft-SAFT in the past. Could be interesting...
Interesting cross over between the chain term in SAFT and a cubic equation of state: https://pubs.acs.org/doi/abs/10.1021/acs.iecr.2c00902
Just a list of things we need to fix in our implementation of the HELD algorithm: - [ ] Rather than use randomly generated points for initial guesses in step...
Pretty sure we wouldn't be able to support this, but still quite cool: https://aip.scitation.org/doi/10.1063/5.0096875
Cool extension of SAFT gamma mie which accounts for the structure of the molecule: - Alkanes: https://aip.scitation.org/doi/10.1063/5.0048315 - Alcohols: https://pubs.acs.org/doi/abs/10.1021/acs.iecr.2c00198 It's a bit weird that it's only comparable to regular...
We could consider using newer methods to solve for the association fraction: 1. https://www.tandfonline.com/doi/full/10.1080/00268976.2012.668963 2. https://pubs.acs.org/doi/10.1021/ie034041q 3. https://pubs.acs.org/doi/abs/10.1021/ie060029x They don't look so complex and we could add them under `AssocOptions`
A cool improvement on the standard Wertheim TPT1 theory: https://doi.org/10.1103/PhysRevE.105.034110
Looks like this might the future of perturbation theories and might be a good idea for us to include them in Clapeyron: 1. uf-theory: https://doi.org/10.1063/5.0031545 2. uv-theory: https://doi.org/10.1063/5.0073572
Cool new activity coefficient model which uses NRTL in combination with association fluid theories: https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/aic.17061
Novel PC-SAFT mixing rule I've been working on which lets one use activity coefficient models to inform the unlike interactions in PC-SAFT, in a similar vein to GE mixing rules...