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Title: A coupled reinforcement learning and IDAES process modeling framework for automated conceptual design of energy and chemical systems

Journal Article · · Energy Advances
DOI: https://doi.org/10.1039/D3YA00310H · OSTI ID:2007244
ORCiD logo [1];  [1];  [2]; ORCiD logo [2];  [1];  [1];  [3];  [2];  [2];  [4];  [4]; ORCiD logo [5];  [1];  [1];  [1];  [1]
  1. Pacific Northwest National Laboratory, Richland, WA, 99352, USA
  2. National Energy Technology Laboratory, Pittsburgh, PA, 15236, USA
  3. Pacific Northwest National Laboratory, Richland, WA, 99352, USA, Northeastern University, Boston, MA, 02115, USA
  4. University of Washington, Seattle, WA, 98195, USA
  5. Pacific Northwest National Laboratory, Richland, WA, 99352, USA, University of Minnesota, Minneapolis, MN, 55455, USA

This study introduces an advanced automated system for designing diverse chemical or electrochemical systems, requiring minimal user expertise, and enabling designing and optimization from scratch.

Research Organization:
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE; USDOE Advanced Research Projects Agency - Energy (ARPA-E)
Grant/Contract Number:
AC05-76RL01830
OSTI ID:
2007244
Report Number(s):
PNNL-SA--178647
Journal Information:
Energy Advances, Journal Name: Energy Advances Journal Issue: 10 Vol. 2; ISSN EANDBJ; ISSN 2753-1457
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

References (23)

Pattern recognition in chemical process flowsheets journal November 2018
Local composition model for excess Gibbs energy of electrolyte systems. Part I: Single solvent, single completely dissociated electrolyte systems journal July 1982
The IDAES process modeling framework and model library—Flexibility for process simulation and optimization journal May 2021
Automated Flowsheet Synthesis Using Hierarchical Reinforcement Learning: Proof of Concept journal August 2021
In Situ Infrared Study of Methanol Synthesis from H2/CO over Cu/SiO2and Cu/ZrO2/SiO2 journal August 1998
Pyomo — Optimization Modeling in Python book January 2017
On the implementation of an interior-point filter line-search algorithm for large-scale nonlinear programming journal April 2005
Automated synthesis of steady-state continuous processes using reinforcement learning journal May 2021
Studies in process synthesis—II journal January 1976
Strategic process synthesis: Advances in the hierarchical approach journal January 1996
A systematic modeling framework of superstructure optimization in process synthesis journal June 1999
Support and morphological effects in the synthesis of methanol over Cu/ZnO, Cu/ZrO2 and Cu/SiO2 catalysts journal January 1988
Designing the process designer: Hierarchical reinforcement learning for optimisation-based process design journal October 2022
Process systems engineering: From Solvay to modern bio- and nanotechnology. journal October 2011
Process Systems Engineering: Academic and industrial perspectives journal July 2019
Searching for optimal process routes: A reinforcement learning approach journal October 2020
Methods for interpreting and understanding deep neural networks journal February 2018
Understanding methanol synthesis from CO/H2 feeds over Cu/CeO2 catalysts journal August 2018
Control of a bioreactor using a new partially supervised reinforcement learning algorithm journal September 2018
Mastering the game of Go with deep neural networks and tree search journal January 2016
Recent Developments and Challenges in Optimization-Based Process Synthesis journal June 2017
Machine Learning Tools Set for Natural Gas Fuel Cell System Design journal July 2021
Reinforcement Learning: A Survey journal January 1996

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