SCITHERM

SciTherm at a glance

SciTherm is an engine entirely developed by Scienomics R&D investment. SciTherm implements state-of-the-art thermodynamic models of the SAFT family of equations of state. SciTherm allows the reliable prediction of physical properties aimed to be used in process modeling. The field of applications covers several industrial segments as as chemicals, oil and gas, separations, pharmaceuticals an related industries. SciTherm implementation allows as well the regression of parameters providing this way a unique capability to devise highly predictive models for all type of systems of interest to the aforementioned industries. SciTherm offers the possibility to compute consistently physical properties in a large range of conditions of pressure and temperature. SciTherm embedded in MAPS allows the direct link of molecular simulations with thermodynamic modeling. For instance users can compute vapor-liquid equilibrium with TOWHEE an use simulated data to regress parameters with SciTherm.

SciTherm in MAPS®

The Materials and Processes Simulations (MAPS) platform is a user friendly environment for molecular modeling and simulations. Its plug-in based architecture enables scientists to use the best technology for a given problem. The MAPS platform runs on Linux and Windows® XP operating systems. MAPS includes a series of tools enabling the construction of molecular systems, finite and periodic, 3D visualization and other utilities. The SciTherm user can quickly create a model system , using standard sketching tools or MAPS' solids builder, and set up calculations using the SciTherm graphical user interface which gives access to many of SciTherm advanced thermodynamic modeling capabilities. Analysis tools and graphs available in MAPS enable an easy representation of SciTherm results. MAPS' native client-server architecture allows to use the best computational resources available and run SciTherm simulations on numerous operating systems. Finally, efficient interaction with office productivity