USE OF MONTE CARLO SIMULATIONS IN POLYURETHANE POLYMERIZATION PROCESSES

PDF

Authors
  1. Dubois, C.
Corporate Authors
Defence Research Establishment Valcartier, Valcartier QUE (CAN)
Abstract
The processing of thermoset energetic polymers involves processes in which a polymerization of an initial liquid prepolymer takes place. This chemical reaction results in a significant 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. In order to optimize the processing window of polyurethane-based formulations, the polymerization reaction has been modeled by Monte-Carlo simulations. For this purpose, 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 carried 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 numerical code. The information obtained from these simulations should provide a means to estimate the material functions of the polymer during the mixing and casting of a formulation by transforming the molecular weight distribution into a relaxation time distribution. Minor modifications to the algorithm will enable the simulation of more complex An+Bn systems.
Report Number
DREV-TM-9509 — Technical Memorandum
Date of publication
01 Nov 1995
Number of Pages
64
DSTKIM No
96-01013
CANDIS No
154742
Format(s):
Document Image stored on Optical Disk;Hardcopy

Permanent link

Document 1 of 1

Date modified: