A new equilibrium thermochemistry library called THERMOCHIMICA has been developed with the primary application for direct integration into multi-physics codes. In particular, this library provides material properties and boundary conditions for use with various transport phenomena on a continuum scale. The development of the software addresses concerns regarding computational performance, availability of the source code and the ability to handle large complex systems, such as irradiated nuclear fuel. In support of these goals, several numerical algorithms have been developed that have significantly enhanced computational performance, which is necessary for large complex thermodynamic systems. The current status of the software is discussed in addition to applications to nuclear fuel performance simulations. Notice: Research supported by the U.S. DOE Office of Nuclear Energy, Nuclear Energy Advanced Modeling and Simulation Program. This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.
