Modeling, Optimization and Computational Methods for Complex Chemical Systems

A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Chemical Processes and Systems".

Deadline for manuscript submissions: closed (15 October 2021) | Viewed by 6349

Special Issue Editors


E-Mail Website
Guest Editor
Centre for Process Integration, Department of Chemical Engineering & Analytical Science, The University of Manchester, Manchester M13 9PL, UK
Interests: multiscale modelling and global optimisation for large-scale complex systems; process synthesis, design, analysis, integration and intensification for sustainable production of fuels and chemicals; Industry 4.0: advanced planning and smart scheduling in manufacturing; robust optimisation

E-Mail Website
Guest Editor
Centre for Process Systems Engineering, Department of Chemical Engineering, University College London, Bloomsbury, London WC1E 6BT, UK
Interests: enterprise-wide optimisation; data-driven dynamic optimisation, cyber-manufacturing systems; multiparametric programming; model-based control algorithms; process planning, scheduling; game theory; decision-making under uncertainty; industrial demand side response strategies; industrial decarbonisation

Special Issue Information

Dear Colleagues,

Complex chemical systems are often highly interconnected, dynamic and multidimensional. To better design, understand, analyse, predict and optimise behaviours of complex chemical systems, advanced mathematical models, optimisation methods and computational tools are substantially desired. Recent advances in big data analytics, new machine learning technologies and supercomputing powers are bringing about step changes in mathematical modelling and optimisation of complex chemical systems. For example, new methodologies can be proposed to build multiscale models, data-driven models or hybrid mechanism/data-driven models for process­–product design, synthesis and integration using new machine learning technologies. Data-driven optimisation algorithms can be developed to solve more difficult optimisation problems of complex chemical systems. Artificial-intelligence-powered decision-making tools can be implemented for chemical production planning and scheduling.

This Special Issue on “Modelling, Optimisation and Computational Methods for Complex Chemical Systems” aims to present latest novel advances in the development and application of advanced mathematical modelling methodologies, optimisation algorithms and computational methods for complex chemcial systems and to stimulate further research in this important area. Topics include but are not limited to:

  • New methodologies for multiscale modelling, data-driven modelling and hybrid mechanism/data-driven modelling;
  • Advanced optimisation theory, methods, algorithms and tools;
  • Process-product synthesis, design, integration and intensification using state-of-the-art modelling and optimisation methods;
  • Process control and operations using cutting-edge modelling techniques and optimisation algorithms;
  • Industrially revelant applications of state-of-the-art models and computational methods.

Prof. Dr. Jie Li
Dr. Vassilis M. Charitopoulos
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Processes is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • complex chemical system
  • mathematical modelling
  • optimisation
  • multiscale modelling
  • computational methods
  • machine learning
  • data-driven
  • artificial intelligence

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue polices can be found here.

Published Papers (1 paper)

Order results
Result details
Select all
Export citation of selected articles as:

Research

17 pages, 746 KiB  
Article
Optimization of Solvent and Extractive Distillation Sequence Considering Its Integration with Reactor
by Changfang Yin and Guilian Liu
Processes 2021, 9(3), 565; https://doi.org/10.3390/pr9030565 - 23 Mar 2021
Cited by 8 | Viewed by 5480
Abstract
The integration of reaction and extractive distillation system is beneficial for reducing the process cost. A systematic method is proposed to identify the optimal solvent, solvent-to-feed ratio, extractive distillation sequence and reactor operating conditions based on the integration of reactor and extractive distillation. [...] Read more.
The integration of reaction and extractive distillation system is beneficial for reducing the process cost. A systematic method is proposed to identify the optimal solvent, solvent-to-feed ratio, extractive distillation sequence and reactor operating conditions based on the integration of reactor and extractive distillation. The non-key component matrix method is used to generate the extractive distillation sequences. The proposed method can be used to evaluate different solvents, solvent-to-feed ratios, as well as the extractive distillation sequences; the optimal extractive distillation parameters corresponding to the minimum total annualized cost (TAC) can be identified considering different operating conditions. For the selective hydrogenation of benzene to cyclohexene process, the minimum total annualized cost of unit desired product, 4.01 $·kmol−1, is achieved when the reactor’s inlet temperature is 333 K, solvent N-Formylmorpholine and sequence S2 are employed, and the solvent-to-feed ratio is 4. Full article
Show Figures

Figure 1

Back to TopTop