CO₂ Capture and Utilization and Molecular Simulation

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

Sincerely,

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

Manuscript Submission Information

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