In the Thermodynamics modeling Scienomics offers two software modules, SciTherm and SciPharma, that enable state-of-the-art predictions of physical properties of materials for product and process design.
The combination of molecular modeling and simulations with thermodynamic modeling in MAPS represents a significant advantage for chemical engineers who need physical properties and lack of experimental data. In the workflow suggested by MAPS, chemical engineers can perform molecular simulations and predict liquid densities with LAMMPS or phase equilibria with Towhee, which then can be used in SciTherm as pseudo-experimental data in order to regress parameters for further thermodynamic modeling.
Contact our experts and learn how SciTherm, MAPS and our molecular modeling and simulations technoly can support your product and process design projects.