Phase-Transfer Catalysis in Polycondensation Processes. XIV. Polyethers with Semirigid Chain

Molecular simulation of thermophysical properties of aromatic polymers containing oxetane ring in the main chain

“…The experimental observations of the PE-6 polyether have evidenced a semi-crystalline structure 4 with T m between 389 and 391 K. The comparison between theoretical (361 K) and experimental (363 K) T g s of the PE-6 polyether gives a very good result because the difference is just 2 K (Table III).…”

“…The experiments have shown that this polymer has an amorphous structure 4 with a T g of 360 K. One can draw attention to the significant correlation between theoretical (358 K) and experimental T g values according to Table III. The PE-5 polymer has a slight chain geometry modification by replacing the OCH 2 O group with a OCOO one (Figs.…”

“…The details concerning the polymer synthesis and characterization were previously reported. [1][2][3][4] Computer modelling of chemical structures of the polymers, molecular dynamics simulations, and conformational analyzes, were carried out using molecular simulation software for material science, 7 7 were used in order to perform the computations and to calculate the glass transition temperature, cohesive energy, and decomposition temperature, and analyze orientational properties. The OFF module allowed specification of the force field to be used for these simulations.…”

Molecular Dynamics Simulation of Azobenzene Liquid Crystalline Polymers

“…Amongst various aromatic polyethers, those containing oxetane rings in the main chain are of particular interest: their synthesis started from 3,3‐bis(chloromethyl)oxetane [BCMO] and various bisphenols with a linear or bent geometry. This class of polymers is of great interest as it allows chemical modifications due to the reactivity of the oxetanic rings 20–25. These modifications may result in obtaining polymers with non‐linear properties or high mechanical resistance.…”

Influence of Microwaves Irradiation on Modification of Oxetane Based Polymers with 4-(2-Amino-ethyl)morpholine

“…The basic polymer presents high crystallization capacity and, as a consequence, some difficulties appear, concerning Tg measurement by DSC; a sudden cooling after heating is necessary prior to this measurement. 10 Modification of the polymer results in reduction of ordering capacity, due to the presence of morpholine groups in the side-chain. This polymer has higher content of the amorphous phase and measurement of Tg is therefore possible.…”