I'm a Chemical Engineer now doing my PhD in thermodynamics, specifically in designing computational algorithms for PVT simulation of reservoir fluids. My focus is mainly on phase diagrams tracing (isoplets, isotherms) of multicomponent mixtures using Equations of State and improving methodologies for parameter fitting.
My principal project is:
- yaeos, a Fortran library for equations of state related calculations, with a heavy emphasis in ease of extensibility and usage. Using both automatic differentiation and analytical derivatives approaches to exploit the best of both worlds. of State. It uses Fortran code in the background to assure high performance in the calculations. It provides an easy to use Python interface for easier usage.