Computational toolkits for model-based design and optimization

DT Agi, KD Jones, MJ Watson, HG Lynch… - Current Opinion in …, 2024 - Elsevier
Highlights•Systematically review 82 model-based design (MBD) toolkits.•Dynamic,
multiscale, and interdisciplinary grand challenges drive software trends.•Organize MBD …

Multi-scale membrane process optimization with high-fidelity ion transport models through machine learning

D Rall, AM Schweidtmann, M Kruse… - Journal of Membrane …, 2020 - Elsevier
Innovative membrane technologies optimally integrated into large separation process plants
are essential for economical water treatment and disposal. However, the mass transport …

From black box to machine learning: A journey through membrane process modelling

CF Galinha, JG Crespo - Membranes, 2021 - mdpi.com
Membrane processes are complex systems, often comprising several physicochemical
phenomena, as well as biological reactions, depending on the systems studied. Therefore …

Machine learning for multiscale modeling in computational molecular design

AS Alshehri, F You - Current Opinion in Chemical Engineering, 2022 - Elsevier
The chemical industry is facing ever-increasing challenges for developing novel products
and processes capable of reducing environmental impacts and curbing resource depletion …

Machine learning for the advancement of membrane science and technology: A critical review

G Ignacz, L Bader, AK Beke, Y Ghunaim… - Journal of Membrane …, 2024 - Elsevier
Abstract Machine learning (ML) has been rapidly transforming the landscape of natural
sciences and has the potential to revolutionize the process of data analysis and hypothesis …

Creating Coarse-Grained Systems with COBY: Towards Higher Accuracy in Membrane Complexity

MD Andreasen, PCT Souza, B Schott, L Zuzic - bioRxiv, 2024 - biorxiv.org
Current trends in molecular modelling are geared towards increasingly realistic
representations of the modelled systems. This is reflected in larger, more complex systems …

Modeling and simulation for design and analysis of membrane-based separation processes

R Kancherla, S Nazia, S Kalyani, S Sridhar - Computers & Chemical …, 2021 - Elsevier
Accurate and reliable mathematical models play a key role in membrane system design.
Process simulators have been proven to be successful in modeling, simulate, and optimize …

[HTML][HTML] Model-based optimization approaches for pressure-driven membrane systems

Z Rizki, M Ottens - Separation and Purification Technology, 2023 - Elsevier
Membrane technology is commonly used within food, bio-and pharmaceutical processes.
Beside single-stage membranes, multi-stage membrane systems are become more popular …

Stochastic simulation-based superstructure optimization framework for process synthesis and design under uncertainty

R Al, CR Behera, KV Gernaey, G Sin - Computers & Chemical Engineering, 2020 - Elsevier
Advances in simulation and optimization technologies coupled with the continued growth in
computing power now increasingly pave the way for the development of advanced model …

[图书][B] Modeling in membranes and membrane-based processes

A Roy, S Moulik, R Kamesh, A Mullick - 2020 - books.google.com
The book Modeling in Membranes and Membrane-Based Processes is based on the idea of
developing a reference which will cover most relevant and “state-of-the-art” approaches in …