Polymer Properties Prediction Software
The Dortmund Data Bank (short DDB) is a powerful data bank for thermodynamic and thermophysical data. One of their services is data supply for process simulation where experimental data are the basis for the design, analysis, and optimization of chemical processes. The DDB also offers software products for fitting parameters for thermodynamic models like NRTL, Wilson or UNIQUAC and for other models describing pure component properties like the Antoine equation for vapor pressure. The DDB is also used for the development and revision of predictive methods like UNIFAC, and PSRK.
The DDB also offers a databank for polymer properties which covers phase equilibrium data like VLE, LLE, GLE, partition coefficients, critical data, solubilities; caloric data like heat of mixing; and P-V-T related data like volumes and densities.
Aspen Technology, also known as AspenTech is one of the market-leading providers of property prediction software for the chemical process industries. Among many other products, it offers software for fitting parameters for thermodynamic models like Wilson, NRTL or UNIQUAC and for other models describing component properties.
Aspen offers several software products for polymer modeling and polymer process simulations. Aspen Polymers includes physical property data, phase equilibria models, polymer characterization, and reaction kinetic schemes. It models a wide range of polymer processes, including polyolefins, polyesters, polyamides, and many more. Polymer process modeling in Aspen Plus has been extended so that polymers and oligomers can be treated like solids under their melting points.
Triton Road offers inexpensive software products for the prediction of thermophysical properties of pure organic compounds and mixtures.
This software solution also gives a comprehensive overview on the most important physical property prediction methods for liquids and vapors.
The majority of the methods of this software are based on the
corresponding states principle (CSP) and have been recommended by
the experts on property prediction. The software also includes a
small database for compound properties.
3Ps also offers a software product for polymer property prediction.
ProSim is a leading European engineering software company delivering chemical process simulation software and consulting services to the chemical, pharmaceutical, and other processing industries worldwide. ProSim's software solutions are used to improve process design, increase plant efficiency and reduce their impact on environment. Thanks to long term partnerships with major research centers and to substantial investment in R&D, ProSim continuously develops innovative software and has become a recognized player on the international market.
Advanced Chemistry Development, Inc., (ACD/Labs) is a software company that provides software solutions to support synthetic and analytical chemistry laboratories worldwide. CD/Labs also provides enterprise solutions for analytical data handling and knowledge management; molecular property modelling and property-based design to academic institutions, government organizations and a variety of industries including pharmaceutical, biotech, chemical, consumer goods, agrochemical, petrochemical industries.