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

Synthesis of polymers with pendant hydroxyl groups by polyaddition of bis(oxetane)s with dithiols

“…Liu et al 11 have reported addition reaction of pendant oxetane ring in a polyether with sodium 4-(4Ј-cyanophenyl)phenolate in the presence of trifluoromethanesulfonic acid to produce the corresponding polymer with both pendant hydroxyl and 4-(4Ј-cyanophenyl)phenoxy groups. Hurduc et al 12 also have reported addition reaction of pendant oxetane ring in a polyether with amine to form the corresponding adduct upon irradiation with microwaves.…”

Molecular Dynamics Simulation of Azobenzene Liquid Crystalline Polymers

“…Details concerning the synthesis, characterisation and thermal behaviour of the investigated polymers were reported previously 12–21. The polyethers were synthesised by PTC technique, whereby in a two‐phase liquid‐liquid system (water‐nitrobenzene) the catalysts tetrabutylammonium bromide (TBAB) or triethylbenzylammonium chloride (TEBA) were used.…”

“…In practice it is common to use a suitably large cut‐off distance,16–26 and so for this study a cut‐off distance of 50 Å was used for non‐bonded interactions. The partial charge distribution on the atoms of the simulated polymer chains was obtained with the charge equilibration method described by Rappe and Goddard 29…”

“…For this study the reliability of the DREIDING 2.1 potential function has been tested by previous molecular simulation studies of polymers 16–25. It was found that very accurate geometries and potential barriers for various organic polymers have been obtained employing the DREIDING 2.1 force field.…”

“…This method is preferred due to the absence of side reactions that can induce the appearance of branched or cross‐linked polymers. The synthesis by phase transfer catalysis and molecular simulation characterisation of aromatic polyesters, polyethers and copolymers was reported and discussed in our previous publications 11–21. We have simulated around 1 400 polymers and copolymers, the main goal being the investigation of the correlation of the chain geometry, flexibility, inter‐chain interactions and orientation properties with the LC behaviour.…”