Preparation And Characterization Of Non-isocyanate Polyurethane

Polyurethane is an important representative of synthetic resin material, because of itstoxic and moisture sensitive isocyanate traditional materials, the need for improvedperformance, explore new ways greener. a green method of cyclic carbonate andPolyamine for producing polyurethane. And the product was obtained which can form anintramolecular hydrogen bond better than the conventional hydrolysis resistance of thepolyurethane. This new compound is expected to replace the traditional polyurethanematerial has not been large-scale commercial applications. Simulation of polymer materialsis an effective method. It has a short development cycle, the experimental fast and easy tooperate, while avoiding the waste of human and material resources. Attention to newrequirements for chemical reactions always go to the level of the mechanism, a simplesynthetic method of data only accumulated experience. More information is needed on thereaction process models and theories to explain the molecular structure and to help peopleto better understand the relationship between structure and properties, resulting in abreakthrough in performance and applications. This paper proposes two on the linearnon-isocyanate polyurethane (NIPU) models to preliminary indication of the relationshipNIPU architecture and nature, and the model to predict the glass transition temperature,this important polymer physical quantities in order to pay future with project valuecross-linked NIPU preparation to provide some guidance.First, ethylene glycol diglycidyl ether was synthesized by a two-line NIPU. a two-stepmethod, the first step to generate a cyclic carbonate of ethylene glycol diglycidyl; NIPUprepared for the second step reaction by generating a cyclic carbonate. Cyclic carbonateoptimum conditions for the best reaction conditions were: reaction temperature120℃,CO2pressure was2.5MPa, the catalyst is triphenylphosphine, the reaction time was8hours.Second, the rotational isomeric state (RIS) as the theoretical basis, a representativeelected by the conformation of the chain by Monte Carlo method, and then finding theoptimal energy structure to simulate real linear NIPU polymer systems. After creating asimulation model of the physical environment, the system was quenched. In the molecule is also a high temperature, rapid cooling, the resulting glass is irregular. Materials Studiosimulation software using materials related to the molecular structure modeling, andsimulation of quenching process using the module provided by the software, to get thetemperature and volume data obtained by plotting the glass transition temperature, theresults show that the model has a flexible structure for linear NIPU having better predictiveability for a rigid linear structure containing a benzene ring having a positive deviationNIPU.Finally,, based on insufficient computational model proposed above, propose acomputational model for exploring the small computer, and add the code in order to speedup the preparation of model development efficiency. The results show that due to thesignificant reduction in the number of atoms, making the model with fewer atoms declinein accuracy, the model is currently better than the second chapter is accurate, there is acertain bias.