Models the attrition of particles during the pharmaceutical drying process. Based on a lower order model that assumes breakage dues to collision between particles and equipment, and shear forces in the bulk.
Using Cantera library to simulate a 1-D steady plug flow reactor. Simulates the partial oxidation of methane over a platinum catalyst in a packed bed reactor.
Screens for materials containing specified elements with available elasticity data, extracts bulk and shear moduli along with Poisson's ratio, and returns the results in structured arrays.
Queries the Materials Project database for all compounds matching a given chemical formula, ranks them by thermodynamic stability, and extracts key energetic and structural properties.
Queries the Materials Project database for materials matching bandgap, chemistry, and stability filters, sorts them by stability, and stores the key properties.