CO2 Capture and Utilization and Molecular Simulation

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

Deadline for manuscript submissions: 30 June 2024 | Viewed by 277

Special Issue Editors

E-Mail Website
Guest Editor
Department of Chemical Engineering and Biotechnology, National Taipei University of Technology, Taipei, Taiwan
Interests: molecular simulation; phase equilibria modeling; COSMO-SAC modeling; CO2 capture

E-Mail Website
Guest Editor
Department of Chemical and Materials Engineering, National Central University, Taoyuan 32001, Taiwan
Interests: phase equilibria modeling; COSMO-SAC modeling; super-critical CO2

E-Mail Website
Guest Editor
Department of Chemical Engineering and Biotechnology, National Taipei University of Technology, Taipei, Taiwan
Interests: extraction; liquid liquid equilibrium; vapor liquid equilibrium; CO2 capture

Special Issue Information

Dear Colleagues,

In the present day, over 60% of electricity is produced by fossil fuel power plants, leading to the creation of substantial volumes of carbon dioxide (CO2). This is acknowledged as a significant contributor to the emission of greenhouse gases. On this basis, various emerging technologies applicable to CO2 capture and utilization (CCU) are being continuously developed. In recent years, the utilization of molecular simulation for material screening and design has become an indispensable part of fundamental research. The same situation also occurs in the field of CCU.

This Special Issue, entitled "CO2 Capture and Utilization and Molecular Simulation", aims to gather high-quality contributions that address the most recent and innovative advancements in CCU technology and molecular simulation-assisted CCU process development. Topics include, but are not limited to, the following:

  1. The development of models or simulations for CO2 capture and utilization
  2. The innovative development of CO2 capture and utilization technologies.
  3. Multiscale molecular simulation for the CO2 capture process
  4. The process design, optimization and economic evaluation of an CO2 capture system


Dr. Ying-Chieh Hung
Prof. Dr. Chieh-Ming Hsieh
Dr. Ardila Hayu Tiwikrama
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at 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.


  • CO2 capture
  • CCU
  • CCUS
  • phase equilibria
  • molecular dynamics
  • density functional theory
  • super critical CO2
  • CO2 utilizations
  • process design

Published Papers

This special issue is now open for submission.
Back to TopTop