Use of Monte-Carlo Simulations in Polyurethane Polymerization Processes
Abstract
The processing of thermoset energetic polymers involves operations in which a polymerization of initial prepolymer is observed. This chemical reaction brings an important increase of the molecular weight of the polymer. Consequently, the rheological properties of the material are also affected by this curing phenomenon. The extent .of this reaction, as well as the type of polymer used, often determine the magnitude of these changes and their effect on the quality of the end-product being processed. ., order to optimize the processing window of polyurethane-based formulations, the polymerization reaction has been modeled by Monte-Carlo simulations. for this end, a numerical code has been developed in ANSI Fortran 77 that allows the simulation of A2+B2 polymerization with provision for unequal reactivity of the reaction sites. Simulations have been earned out on HTPB-TDI, PPG-HDI and GAP-IPDI systems. A limited experimental validation has confirmed the validity of the molecular weight distributions calculated by the software. The information obtained from these simulations should provide a mean to estimate the material functions of the polymer during the mixing and the casting of a formulation. Minor modifications to the algorithm will enable the simulation of more complex An+Bn systems.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 01, 1995
- Accession Number
- ADA637696
Entities
People
- Charles Dubois