Research Explorer

Your browser does not support JavaScript or JavaScript is not enabled. Without JavaScript some functions of this webapplication may be disabled or cause error messages. To enable JavaScript, please consult the manual of your browser or contact your system administrator.

Project

In-silico design of functional advanced macromolecules.

Outputs and Outcomes

Publications

A dedicated protocol to capture orthosilicate crosslinking kinetics and Arrhenius parameters

Sofie VerschraegenEva LoccufierLies De KeerPaul Van SteenbergeKlaartje De BuysserKaren De ClerckDagmar D'hooge

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Kinetic Monte Carlo residence time distributions and kinetics in view of extrusion-based polymer modification and recycling

Kyann De SmitMariya EdelevaAlessandro TrigilioYoshi MarienPaul Van SteenbergeDagmar D'hooge

A1 Journal Article in REACTION CHEMISTRY & ENGINEERING

Multi-scale reactive extrusion modelling approaches to design polymer synthesis, modification and mechanical recycling

Kyann De SmitTom WiemeYoshi MarienPaul Van SteenbergeDagmar D'hoogeMariya Edeleva

A1 Journal Article in REACTION CHEMISTRY & ENGINEERING

Procedures and guidelines for inputting and output smoothening of kinetic Monte Carlo distributions

Lies De KeerMariya EdelevaFreddy Figueira De BarrosPablo Reyes IsaacuraDagmar D'hoogePaul Van Steenberge

A1 Journal Article in ADVANCED THEORY AND SIMULATIONS

Differences and similarities between mono-, bi- or tetrafunctional initiated cationic ring-opening polymerization of 2-oxazolines

Francisco Jose Arraez HernandezXiaowen XuMariya EdelevaPaul Van SteenbergeYoshi MarienValentin-Victor JercaRichard HoogenboomDagmar D'hooge

A1 Journal Article in POLYMER CHEMISTRY

Synergy of advanced experimental and modeling tools to underpin the synthesis of static step-growth-based networks involving polymeric precursor building blocks

Lies De KeerFederica CavalliDiego EstupiñánAndreas J. D. KrügerSusana RochaPaul Van SteenbergeMarie-Françoise ReyniersLaura De LaporteJohan HofkensLeonie BarnerDagmar D'hooge et al.

A1 Journal Article in MACROMOLECULES

Computational prediction of the molecular configuration of three-dimensional network polymers

Lies De KeerKarsu I. KilicPaul Van SteenbergeLode DaelemansDaniel KoduraHendrik FrischKaren De ClerckMarie-Françoise ReyniersChristopher Barner-KowollikReinhold H. DauskardtDagmar D'hooge et al.

A1 Journal Article in NATURE MATERIALS