Clapeyron.jl: An Extensible, Open-Source Fluid Thermodynamics Toolkit

Thermodynamic
models are often vital when characterizing complex
systems, particularly natural gas, electrolyte, polymer, pharmaceutical,
and biological systems. However, their implementations have historically
been abstruse and cumbersome, and as such, the only options available
were black box commercial tools. In this article, we present Clapeyron.jl: a pioneering attempt at an open-source
fluid thermodynamics toolkit to build and make use of thermodynamic
models. This toolkit is built using Julia, a modern language for scientific
computing known for its ease of use, extensibility, and first-class
support for differentiable programming. We currently support more
models than any package available, including standard cubic (SRK,
PR, PSRK, etc.), activity coefficient (NRTL, UNIFAC, etc.), COSMO-based,
and the venerable SAFT equations. The property estimation methods
supported are extensive, including bulk, VLE, LLE, VLLE, and critical
properties. With Clapeyron.jl, researchers
and enthusiasts alike will be able to focus on the application and
worry less about the implementation.