peng-robinson

User Defined Functions for multi-component thermodynamic calculations of the Predictive Peng-Robinson 1978 Equation of State. Clean VBA functions - no UI changes and no pop up messages. Errors are reported in cell comments. Import Math.bas, ModArraySupport.bas and ChemE_Functions.bas into PData.xlsx and save as xlsm or simply download PData.xlsm.

Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities

A Matlab toolbox for the PVT calculation using the cubic equations of state (EOS)

Automated QC and extension of black-oil PVT tables (PVTO/PVTG): Singh & Whitson (SPE 109596) with analytical convergence pressure, PR79+Peneloux EOS, LBC viscosity, and a composition-everywhere interpolation layer.

Using Python to solve thermodynamic cubic equations of state

A Fortran program performing thermodynamic calculations using cubic equations of state (Van der Waals, Redlich-Kwong, Peng-Robinson)

Computes the fugacity of a liquid mixture using the Peng-Robinson EOS and the Van Der Waals mixing rules.

:: A simple Python script for automating the calculation and visualization of gas uptake from a raw data file ::

A modular Python engine for multicomponent thermodynamic modeling (Peng-Robinson EOS & NRTL) and dynamic batch distillation simulation. Features Rachford-Rice VLE flash solvers, bubble-point tracking, enthalpy balances, and industrial validation against Aspen HYSYS with <0.5% relative error.

Python implementation of the Peng-Robinson EOS for fugacity, compressibility factor, and vapor-liquid equilibrium calculations.

VLE Calculator using Peng-Robinson Equation of State — Python

SHCT — a transient, coupled-PDE solver for predicting hydrodynamic slugging and gas-hydrate formation in subsea multiphase pipelines, with a full deepwater medium-crude-oil flow-assurance case study.

Validated C++/OpenMP/CUDA implementation of the Peng–Robinson EOS with CPU/GPU differential testing and performance characterization.