Polymer colloids: current challenges, emerging applications, and new developments
M Aguirre, N Ballard, E Gonzalez, S Hamzehlou… - …, 2023 - ACS Publications
Polymer colloids are complex materials that have the potential to be used in a vast array of
applications. One of the main reasons for their continued growth in commercial use is the …
applications. One of the main reasons for their continued growth in commercial use is the …
Machine learning in process systems engineering: Challenges and opportunities
This “white paper” is a concise perspective of the potential of machine learning in the
process systems engineering (PSE) domain, based on a session during FIPSE 5, held in …
process systems engineering (PSE) domain, based on a session during FIPSE 5, held in …
A smile is all you need: predicting limiting activity coefficients from SMILES with natural language processing
The knowledge of mixtures' phase equilibria is crucial in nature and technical chemistry.
Phase equilibria calculations of mixtures require activity coefficients. However, experimental …
Phase equilibria calculations of mixtures require activity coefficients. However, experimental …
[HTML][HTML] A review and perspective on hybrid modeling methodologies
The term hybrid modeling refers to the combination of parametric models (typically derived
from knowledge about the system) and nonparametric models (typically deduced from data) …
from knowledge about the system) and nonparametric models (typically deduced from data) …
Quo vadis multiscale modeling in reaction engineering?–A perspective
This work reports the results of a perspective workshop held in summer 2021 discussing the
current status and future needs for multiscale modeling in reaction engineering. This …
current status and future needs for multiscale modeling in reaction engineering. This …
[HTML][HTML] Formulating data-driven surrogate models for process optimization
Recent developments in data science and machine learning have inspired a new wave of
research into data-driven modeling for mathematical optimization of process applications …
research into data-driven modeling for mathematical optimization of process applications …
Introducing hybrid modeling with time-series-transformers: A comparative study of series and parallel approach in batch crystallization
N Sitapure, J Sang-Il Kwon - Industrial & Engineering Chemistry …, 2023 - ACS Publications
Given the hesitance surrounding the direct implementation of black-box tools due to safety
and operational concerns, fully data-driven deep-neural-network (DNN)-based digital twins …
and operational concerns, fully data-driven deep-neural-network (DNN)-based digital twins …
Machine learning for industrial processes: Forecasting amine emissions from a carbon capture plant
KM Jablonka, C Charalambous… - Science …, 2023 - science.org
One of the main environmental impacts of amine-based carbon capture processes is the
emission of the solvent into the atmosphere. To understand how these emissions are …
emission of the solvent into the atmosphere. To understand how these emissions are …
Intensification of catalytic reactors: a synergic effort of multiscale modeling, machine learning and additive manufacturing
M Bracconi - Chemical Engineering and Processing-Process …, 2022 - Elsevier
The intensification of catalytic reactors is expected to play a crucial role to address the
challenges that the chemical industry is facing in the transition to more sustainable …
challenges that the chemical industry is facing in the transition to more sustainable …
[HTML][HTML] Learning from flowsheets: A generative transformer model for autocompletion of flowsheets
We propose a novel method enabling autocompletion of chemical flowsheets. This idea is
inspired by the autocompletion of text. We represent flowsheets as strings using the text …
inspired by the autocompletion of text. We represent flowsheets as strings using the text …