zwang1995 / aspen-plus-automation

Automation of process simulation in Aspen Plus

Automated Process Simulation in Aspen Plus

This repository introduces how to automate process simulation in Aspen Plus.

Automatic process simulation is highly efficient if we want to obtain the performance of chemical processes under a large number of different operating configurations. It generates datasets of operating configurations (i.e., inputs) and corresponding process performance (i.e., outputs), enabling surrogate modeling and model-based optimization of chemical processes.

Additionally, the automated process simulation allows for simulation-based optimization to search for optimal operating conditions of chemical processes.

Example

Extractive Distillation Column (EDC)

Here, an illustrative example of EDC for the 1-butene/1,3-butadiene separation is introduced. N-methyl-2-pyrrolidone (NMP) is adopted as the solvent. The objective is to perform process simulations and collect key performance indicators (i.e., product purity and reboiler heat duty) of the EDC under different configurations (i.e., varying numbers of stages, reflux ratios, and flow rates of NMP). Meanwhile, errors that occurred in the simulation are detected and recorded.

Inputs:

• stream variables (flow rate, temperature, pressure, etc.)
• block variables (operating pressure, the total number of trays, reflux ratio, etc.)

Outputs:

• stream variables (mole fraction, temperature, pressure, etc.)
• block variables (reboiler/condenser heat duty)
• simulation error

Requirements

Library

• pywin32: provide access to Windows APIs from Python

Software

• Aspen Plus: chemical process simulation

Author

Zihao Wang

Additional Materials

More introductions to the Aspen Plus automation are referred to the following materials:

• Mauro Suardi. (2022). Optimize process simulation with Python-Aspen integration.
• Samvith Rao. (2021). Automation of process simulation and data analytics with MATLAB.
• Zain Javed. (2020). How to use Aspen Plus - Matlab Link?.
• Brian Satola. (2018). Navigating the Variable Explorer in Aspen Plus.

Related repository:

• https://github.com/edgarsmdn/Aspen_Plus_Python

If you work with Aspen HYSYS, please refer to: https://github.com/edgarsmdn/Aspen_HYSYS_Python