(535g) Clapeyron.Jl: An Extensible, Open-Source Fluid-Thermodynamics Toolkit

Thermodynamic models are essential for characterising complex systems, including natural gas, electrolyte, polymer, pharmaceutical, and biological systems. However, the historically challenging and cumbersome implementations of these models have restricted access to black-box commercial tools. Clapeyron.jl represents a groundbreaking open-source fluid-thermodynamics toolkit for developing and utilising thermodynamic models. Built-in Julia, a modern language for scientific computing known for its ease of use, extensibility, and first-class support for differentiable programming, Clapeyron.jl has simplified access to thermodynamic modelling. Our toolkit supports more equations than any other package available, including most commonly used standard cubic (SRK, PR, PSRK, etc.), activity-coefficient (NRTL, UNIFAC, etc.), COSMO-based, and SAFT equations. We also provide a range of property estimation methods for single- and multi-component systems, including bulk, equilibrium, and critical properties. With Clapeyron.jl, researchers and enthusiasts alike can concentrate on the applications while minimising concerns about the implementation. Furthermore, Clapeyron.jl provides a mechanism for researchers in the field to implement their equations or algorithms, benchmark them, and make them available to the broader research community. This will greatly accelerate the development and acquisition of new thermodynamic tools. The future looks promising, with an ever-growing collection of models, including electrolyte approaches, chemical-reaction models, and new group-contribution approaches, planned for future Clapeyron.jl releases. Our toolkit provides a valuable and powerful resource for researchers and industry professionals alike, offering new opportunities for innovation and discovery in thermodynamics.