Recent advances in software tools for adsorption science and engineering. Issue 7 (7th June 2022)

• Record Type: Journal Article
• Authors: Ga, Seongbin; Chung, Yongchul G.
• Is Part Of: Molecular Systems Design and Engineering. Volume 7:Issue 7(2022)
• Page Start: 686
• Page End: 701
• Publication Date: 2022-06-07
• Subjects: Chemistry -- Molecular aspects -- Periodicals; Chemical engineering -- Molecular aspects -- Periodicals; Nanotechnology -- Periodicals; 620.5
• DOI: 10.1039/d2me00036a
• Languages: English
• ISSNs: 2058-9689

Abstract

Abstract : We provide overviews of recent developments in the software tools for both molecular and process simulations for adsorption science and engineering. Abstract : Adsorption processes are widely regarded in the literature as an energy-efficient alternative to more traditional separation methods, such as absorption and distillation. The key to adsorption-based separation is in the adsorbent materials and adsorption process operation. Despite its importance, a relatively small number of studies have been published in the literature to review the current state-of-the-art of adsorption process modeling, especially in the context of multi-scale modelling. In this review, we discuss the current state-of-the-art of adsorption process modeling, with the focus on software tool developments. Several technical simplifications and advances commonly employed in software development are discussed along with their advantages and limitations.