Recent trends on hybrid modeling for Industry 4.0

J Sansana, MN Joswiak, I Castillo, Z Wang… - Computers & Chemical …, 2021 - Elsevier
The chemical processing industry has relied on modeling techniques for process monitoring,
control, diagnosis, optimization, and design, especially since the third industrial revolution …

Advances in surrogate based modeling, feasibility analysis, and optimization: A review

A Bhosekar, M Ierapetritou - Computers & Chemical Engineering, 2018 - Elsevier
The idea of using a simpler surrogate to represent a complex phenomenon has gained
increasing popularity over past three decades. Due to their ability to exploit the black-box …

Bayesian reaction optimization as a tool for chemical synthesis

BJ Shields, J Stevens, J Li, M Parasram, F Damani… - Nature, 2021 - nature.com
Reaction optimization is fundamental to synthetic chemistry, from optimizing the yield of
industrial processes to selecting conditions for the preparation of medicinal candidates …

Overview of surrogate modeling in chemical process engineering

K McBride, K Sundmacher - Chemie Ingenieur Technik, 2019 - Wiley Online Library
The ability to accurately model and simulate chemical processes has been paramount to the
growing success and efficiency in process design and operation. These improvements …

Challenges and opportunities in carbon capture, utilization and storage: A process systems engineering perspective

MMF Hasan, MS Zantye, MK Kazi - Computers & Chemical Engineering, 2022 - Elsevier
Carbon capture, utilization, and storage (CCUS) is a promising pathway to decarbonize
fossil-based power and industrial sectors and is a bridging technology for a sustainable …

A hybrid science‐guided machine learning approach for modeling chemical processes: A review

N Sharma, YA Liu - AIChE Journal, 2022 - Wiley Online Library
This study presents a broad perspective of hybrid process modeling combining the scientific
knowledge and data analytics in bioprocessing and chemical engineering with a science …

Evolution of concepts and models for quantifying resiliency and flexibility of chemical processes

IE Grossmann, BA Calfa, P Garcia-Herreros - Computers & Chemical …, 2014 - Elsevier
This paper provides a historical perspective and an overview of the pioneering work that
Manfred Morari developed in the area of resiliency for chemical processes. Motivated by …

Obey validity limits of data-driven models through topological data analysis and one-class classification

AM Schweidtmann, JM Weber, C Wende… - Optimization and …, 2022 - Springer
Data-driven models are becoming increasingly popular in engineering, on their own or in
combination with mechanistic models. Commonly, the trained models are subsequently …

Integrating tactical planning, operational planning and scheduling using data-driven feasibility analysis

O Badejo, M Ierapetritou - Computers & Chemical Engineering, 2022 - Elsevier
Supply chain operations and scheduling are well-studied problems in the literature.
Although these problems are related, they are often solved sequentially. This uncoordinated …

A novel feasibility analysis method for black‐box processes using a radial basis function adaptive sampling approach

Z Wang, M Ierapetritou - AIChE Journal, 2017 - Wiley Online Library
Feasibility analysis is used to determine the feasible region of a multivariate process. This
can be difficult when the process models include black‐box constraints or the simulation is …