CSPlib is a C++ library that provides utilities for computational singular perturbation (CSP) analysis of chemical kinetic systems. It is particularly useful for analysis of stiff chemical mechanisms, enabling decoupling of fast and slow processes, identification of underlying slow invariant manifolds, and exploration of cause and effect relationships.
MemPy v1.0 is a Python-based software tool for simulating the separation performance of gas separations with spiral wound membranes. It supports a wide variety of types of calculations, including those with variables depending on one or two dimensions, with the Peng-Robinson or ideal gas equation of state, and with a linear or nonlinear description of permeance. The models have been validated by comparing to an experimental system for air separation. As such, the software is useful for process intensification of gas separation with spiral wound membranes.
The TChem toolkit is a software library that enables numerical simulations using complex chemistry and facilitates the analysis of detailed kinetic models. The toolkit provide capabilities for thermodynamic properties based on NASA polynomials, kinetic model reaction rates (both for individual reactions and for species) for gas-phase and surface chemistry. It incorporates methods that can selectively modify reaction parameters for sensitivity analysis and uncertainty quantification.
Zeo++ is an open-source software for performing high-throughput geometry-based analysis of porous materials and their voids. Zeo++ serves approximately 800 registered users, who can communicate with the developer via email.
Registration is required by Lawrence Berkeley National Laboratory (LBNL) for downloading the code.