PyChemEngg is a python-based framework to promote problem solving and critical thinking in chemical engineering.

A Python package for styrene reactor simulation

Kinetics-Constrained Neural Ordinary Differential Equations (KCNODE) that can be trained even with small data

Physics-based microkinetic and surrogate modeling framework linking periodic DFT energetics to regime-dependent catalytic performance, apparent activation energy, and extrapolation-aware rate control analysis.

Compilation of material for chemical engineering IIT KGP

Reaction-Diffusion Kinetics — MATLAB animated simulation of HCl diffusion into NaOH with Fick's law (CHE213, IITK)

Pyomo-based framework for mechanistic modeling and dynamic optimization of enzymatic cascades immobilized in porous particles, featuring reaction-diffusion modeling, enzyme deactivation kinetics, and flexible spatial immobilization distributions.

Python-based reactor performance analysis tool for computing conversion, estimating reaction rates, comparing reactor operating scenarios, and generating engineering visualizations from synthetic kinetic datasets.

Cheatsheet for graduate level course Reaction Engineering

Rachel Gaines' academic portfolio / website

Python-based simulation tool for modeling plug flow and continuously stirred tank reactors using numerical solution of chemical reaction engineering equations. Includes reactor comparison and design visualization tools.