Predici

Predici

…is the leading simulation package for the modeling and dynamic simulation of macromolecular processes. The unique Galerkin h-p-method enables the rigorous computation of complete molecular weight distributions of any form up to any degree of polymerization. But Predici is much more, it handles all balances of a process, including industrial recipes and reactor cascades and it contains an outstanding parameter estimation tool.

Predici has been successfully applied to processes like radical copolymerization, living-radical polymerization, emulsion polymerization, polycondensation, suspension polymerization, Ziegler-Natta-catalysis, polymer degradation, ionic polymerization and pulsed-laser polymerization. There are numerous examples where Predici has provided first-time or reference solutions.

All simulation results are presented in online-graphs during simulation or optimization runs. Import and export of results and data in text files or via the COM-interface ensure the communication with other program packages (CiT's software products can be used both as OLE-server and as OLE-client). All implemented numerical algorithms include self-adaptive grid and time-step controls based on robust error-control mechanisms. They lead to convincing solutions both in efficiency and in accuracy.

Features

  • Rigorous treatment of complete molecular weight distributions in arbitrary polymerization processes
  • Reaction step patterns for propagation, termination, transfer (monomer, agent, polymer), depolymerization and polymer degradation, description of oligomers, chain-length dependent reactions and many more
  • Copolymerization with any number of monomer species
  • Treatment of composition and branching distributions in heterogeneous systems
  • Comprehensive parameter estimation tool including distribution fit
  • Temperature- and pressure profiles as well as recipes for reactors or cascades of reactors
  • Manipulation of kinetic rate coefficients and reactants by use of an interpreter mechanism
  • Analysis of polymer properties
  • Input of measured concentrations as well as molecular weight distributions
  • Hybrid Monte-Carlo solver in Predici 11
  • New: Uncertainty Quantification of parameter estimation

Check out the Predici 11 introduction.