Multiscale Equation-Oriented Optimization Decreases the Carbon Intensity of Shale Gas to Liquid Fuel Processes

This GitHub repository contains computer codes for the publication:

Kanishka Ghosh, Santiago D. Salas, Alejandro Garciadiego, Jennifer B. Dunn, Alexander W. Dowling (2024). Multiscale Equation-Oriented Optimization Decreases the Carbon Intensity of Shale Gas to Liquid Fuel Processes, ACS Sustainable Chemistry & Engineering https://doi.org/10.1021/acssuschemeng.4c00933

Specifically, this repository includes scripts for reduced order kinetic model formulation, process flowsheet formulation, initialization, and optimization using IDAES, analysis of optimization results, and illustrations. The following sub-sections will highlight the contents of this folder.

data

This folder contains parameter and feed composition data in .xlsx and .csv files.

initialization_files

This folder contains solution .json files with process model state data that can be used to initialize the IDAES flowsheet.

plots

This folder contains .pdf version of plots generated using matplotlib

results

This folder contains .csv and .xlsx files with optimal solution results

• optimal_data_wrt_c_tax_rates.csv: Optimal solution and decision variables for optimization with different GHG emissions tax rates.
• optimal_data_wrt_region.csv: Optimal solution and decision variables for optimization with different NGL feed compositions.
• optimal_data_wrt_ROK_models.csv: Optimal solution and decision variables for optimization with different ROK models.
• solution_data.xlsx: Master file with stream data and heat integration data for all optimal solutions.

src

This folder contains python files used to define functions for calculations.

Jupyter notebooks

All the analysis is performed using Jupyter Notebooks. Open and refer to a notebook to learn about the calculations performed in it.