A brief introduction to chemical reaction optimization

CJ Taylor, A Pomberger, KC Felton, R Grainger… - Chemical …, 2023 - ACS Publications
From the start of a synthetic chemist's training, experiments are conducted based on recipes
from textbooks and manuscripts that achieve clean reaction outcomes, allowing the scientist …

An overview of process systems engineering approaches for process intensification: State of the art

Y Tian, SE Demirel, MMF Hasan… - … and Processing-Process …, 2018 - Elsevier
Process intensification offers the potential to drastically reduce the energy consumption and
cost of producing chemicals from both bulk and distributed feedstocks. This review article …

[HTML][HTML] A review on superstructure optimization approaches in process system engineering

L Mencarelli, Q Chen, A Pagot, IE Grossmann - Computers & Chemical …, 2020 - Elsevier
In this paper, we survey the main superstructure-based approaches in process system
engineering, with a particular emphasis on the existing literature for automated …

[HTML][HTML] Maximizing information from chemical engineering data sets: Applications to machine learning

A Thebelt, J Wiebe, J Kronqvist, C Tsay… - Chemical Engineering …, 2022 - Elsevier
It is well-documented how artificial intelligence can have (and already is having) a big
impact on chemical engineering. But classical machine learning approaches may be weak …

Challenges in process optimization for new feedstocks and energy sources

A Mitsos, N Asprion, CA Floudas, M Bortz… - Computers & Chemical …, 2018 - Elsevier
Current and future challenges of optimization in the process industry are discussed. The gap
between academic research and industrial workflow is analyzed. Moreover, issues arising …

Green ethylene production in the UK by 2035: a techno-economic assessment

AH Nyhus, M Yliruka, N Shah… - Energy & Environmental …, 2024 - pubs.rsc.org
Olefins production in the UK is the most emission-intensive sector of the chemical industry.
Bringing thermocatalytic and electrocatalytic processes together, this paper compares nine …

Optimal demand response scheduling of an industrial air separation unit using data-driven dynamic models

C Tsay, A Kumar, J Flores-Cerrillo, M Baldea - Computers & Chemical …, 2019 - Elsevier
Managing electricity demand has become a key consideration in power grid operations.
Industrial demand response (DR) is an important component of demand-side management …

[HTML][HTML] Bayesian optimization as a flexible and efficient design framework for sustainable process systems

JA Paulson, C Tsay - Current Opinion in Green and Sustainable Chemistry, 2024 - Elsevier
Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-
evaluate black-box functions, with a broad range of real-world applications in science …

Integrating business impact analysis and risk assessment for physical asset criticality analysis: A framework for sustainable operations in process industries

M Aghabegloo, K Rezaie, SA Torabi… - Expert Systems with …, 2024 - Elsevier
The paper tackles the issue of managing physical assets in asset-intensive industries, where
continuity plans are crucial for business operations during disruptions. However, resource …

Development of a digital twin for a flexible air separation unit using a pressure-driven simulation approach

R Kender, F Kaufmann, F Rößler, B Wunderlich… - Computers & Chemical …, 2021 - Elsevier
Currently, digitalization provides new challenges and opportunities for the process industry.
A frequently used keyword in this context is digital twin. In this work, the term digital twin is …