Prediction of glass transition temperatures from monomer and repeat unit structure using computational neural networks
BE Mattioni, PC Jurs - Journal of chemical information and …, 2002 - ACS Publications
Quantitative structure− property relationships (QSPR) are developed to correlate glass
transition temperatures and chemical structure. Both monomer and repeat unit structures are …
transition temperatures and chemical structure. Both monomer and repeat unit structures are …
Explainable machine learning algorithms for predicting glass transition temperatures
Modern technologies demand the development of new glasses with unusual properties.
Most of the previous developments occurred by slow, expensive trial-and-error approaches …
Most of the previous developments occurred by slow, expensive trial-and-error approaches …
[HTML][HTML] Tailoring the physical properties of non-isocyanate polyurethanes by introducing secondary amino groups along their main chain
I Łukaszewska, S Lalik, A Bukowczan, M Marzec… - Journal of Molecular …, 2023 - Elsevier
A series of linear non-isocyanate polyhydroxyurethanes (NIPUs) were synthesized by
aminolysis of a PPO bis-cyclic carbonate with two diamines, one of which …
aminolysis of a PPO bis-cyclic carbonate with two diamines, one of which …
Machine learning glass transition temperature of styrenic random copolymers
Y Zhang, X Xu - Journal of Molecular Graphics and Modelling, 2021 - Elsevier
For styrenic random copolymers, the glass transition temperature, Tg, is an important
thermophysical parameter, which is sometimes difficult to measure and determine by …
thermophysical parameter, which is sometimes difficult to measure and determine by …
Design of polyimides with targeted glass transition temperature using a graph neural network
H Qiu, X Qiu, X Dai, ZY Sun - Journal of Materials Chemistry C, 2023 - pubs.rsc.org
Polyimide substrates used in flexible display devices need to withstand very high
temperatures and be highly thermally stable. The discovery of polyimides that satisfy these …
temperatures and be highly thermally stable. The discovery of polyimides that satisfy these …
Glass transition behaviors of a polyurethane hard segment based on 4, 4 '-diisocyanatodiphenylmethane and 1, 4-butanediol and the calculation of microdomain …
TK Chen, JY Chui, TS Shieh - Macromolecules, 1997 - ACS Publications
The long-term confusing glass transition temperature, T g, and specific heat capacity, Δ Cp,
of the 4, 4 '-diisocyanatodiphenylmethane (MDI) and 1, 4-butanediol (BD) hard segment in …
of the 4, 4 '-diisocyanatodiphenylmethane (MDI) and 1, 4-butanediol (BD) hard segment in …
Cross-examining polyurethane nanodomain formation and internal structure
Structural and morphological interplay between hard and soft phases determine the bulk
properties of thermoplastic polyurethanes. Commonly employed techniques rely on different …
properties of thermoplastic polyurethanes. Commonly employed techniques rely on different …
Prediction of polyurethane behaviour via time-temperature superposition: Meanings and limitations
D Ionita, M Cristea, C Gaina - Polymer Testing, 2020 - Elsevier
Two main issues are essential nowadays for practitioners in the field of polymeric materials:
how a polymer will behave under dynamic loading conditions and for how long a polymer is …
how a polymer will behave under dynamic loading conditions and for how long a polymer is …
Dynamic polyurethane thermosets: tuning associative/dissociative behavior by catalyst selection
F Elizalde, RH Aguirresarobe, A Gonzalez… - Polymer …, 2020 - pubs.rsc.org
Polyurethanes are one of the most versatile families of polymers and are one of the most
widely used in thermosets. Due to their static cross-linked structure, they have limited …
widely used in thermosets. Due to their static cross-linked structure, they have limited …
Characterization of molecular structures and properties of polyurethanes using molecular dynamics simulations
J Repáková, P Čapková, M Studenovský… - Journal of molecular …, 2004 - Springer
Thermotropic polyurethanes with mesogenic groups in side chains were prepared from two
diisocyanates and four diols with stoichiometric ratios of reactive isocyanate (NCO) and …
diisocyanates and four diols with stoichiometric ratios of reactive isocyanate (NCO) and …