State‐Of‐The‐Art Quantification of Polymer Solution Viscosity for Plastic Waste Recycling
R Kol, T De Somer, DR D'hooge, F Knappich… - …, 2021 - Wiley Online Library
Solvent‐based recycling is a promising approach for closed‐loop recovery of plastic‐
containing waste. It avoids the energy cost to depolymerize the plastic but still allows to …
containing waste. It avoids the energy cost to depolymerize the plastic but still allows to …
Property-guided generation of complex polymer topologies using variational autoencoders
The complexity and diversity of polymer topologies, or chain architectures, present
substantial challenges in predicting and engineering polymer properties. Although machine …
substantial challenges in predicting and engineering polymer properties. Although machine …
Effect of charge distribution on the dynamics of polyampholytic disordered proteins
The stability and physiological function of many biomolecular coacervates depend on the
structure and dynamics of intrinsically disordered proteins (IDPs) that typically contain a …
structure and dynamics of intrinsically disordered proteins (IDPs) that typically contain a …
Molecular simulations of asphalt rheology: Application of time–temperature superposition principle
We show that the several decades gap between the time scales of experiments and
atomistic simulations can be significantly reduced by applying time-temperature …
atomistic simulations can be significantly reduced by applying time-temperature …
Molecular topology and local dynamics govern the viscosity of imidazolium-based ionic liquids
A series of branched ionic liquids (ILs) based on the 1-(iso-alkyl)-3-methylimidazolium
cation from 1-(1-methylethyl)-3-methylimidazolium bistriflimide to 1-(5-methylhexyl)-3 …
cation from 1-(1-methylethyl)-3-methylimidazolium bistriflimide to 1-(5-methylhexyl)-3 …
Effect of polymer structure and chemistry on viscosity index, thickening efficiency, and traction coefficient of lubricants
P Panwar, E Schweissinger, S Maier, S Hilf… - Journal of Molecular …, 2022 - Elsevier
The chemistry and structure of base oil and polymer additive molecules in lubricants directly
affect key performance metrics such as viscosity index, thickening efficiency, and traction …
affect key performance metrics such as viscosity index, thickening efficiency, and traction …
Polymer-functionalized polymer nanoparticles and their behaviour in suspensions
W Wichaita, YG Kim, P Tangboriboonrat… - Polymer …, 2020 - pubs.rsc.org
Soft polymer nanoparticles can be functionalized with end-tethered polymer chains to
control their solvent compatibility and stability. Controlling and understanding the behaviour …
control their solvent compatibility and stability. Controlling and understanding the behaviour …
Probing the rheological properties of liquids under conditions of elastohydrodynamic lubrication using simulations and machine learning
JCS Kadupitiya, V Jadhao - Tribology Letters, 2021 - Springer
In elastohydrodynamic lubrication (EHL), the lubricant experiences pressures in excess of
500 MPa and strain rates larger than 10 5 s-1. The high pressures lead to a dramatic rise in …
500 MPa and strain rates larger than 10 5 s-1. The high pressures lead to a dramatic rise in …
Star polymers vs. dendrimers: Studies of the synthesis based on computer simulations
P Polanowski, K Hałagan, A Sikorski - Polymers, 2022 - mdpi.com
A generic model was developed for studies of the polymerization process of regular
branched macromolecules. Monte Carlo simulations were performed employing the …
branched macromolecules. Monte Carlo simulations were performed employing the …
Molecular dynamics simulations of aqueous nonionic surfactants on a carbonate surface
The interactions and structure of secondary alcohol ethoxylates with 15 and 40 ethoxylate
units in water near a calcite surface are studied. It is found that water binds preferentially to …
units in water near a calcite surface are studied. It is found that water binds preferentially to …