TY - JOUR
T1 - Fused aromatic networks as a new class of gas hydrate inhibitors
AU - Noh, Hyuk Jun
AU - Lee, Dongyoung
AU - Go, Woojin
AU - Choi, Gyucheol
AU - Im, Yoon Kwang
AU - Mahmood, Javeed
AU - Seo, Yongwon
AU - Baek, Jong Beom
N1 - KAUST Repository Item: Exported on 2022-01-27
Acknowledgements: This research was supported by the Creative Research Initiative (CRI, 2014R1A3A2069102), BK21 Plus (5120200413798), Science Research Center (SRC, 2016R1A5A1009405), and Mid-career Research (2021R1A2C2005856) programs through the National Research Foundation (NRF) of Korea, and the U-K Brand Project (2.210048.01) of UNIST. The authors acknowledge computational resources from the UNIST Supercomputing Center.
PY - 2021/11
Y1 - 2021/11
N2 - Fused aromatic networks (FANs) are attracting considerable interest in the scientific community because of their intriguing electronic properties and superior physiochemical stability due to their fully fused aromatic systems. Here, a three-dimensional (3D) cage-like organic network (3D-CON) and a vertical two-dimensional (2D) layered ladder structure (designated as V2D-BBL structure) were studied as materials for gas hydrate inhibitors because of their outstanding stability in high-pressure/low-temperature and periodically incorporated molecular building blocks. The V2D-BBL structure demonstrated remarkable performance, inhibiting the formation of both methane (CH4) and carbon dioxide (CO2) hydrates, comparable to conventional lactam-based polymers. It was determined that the designed perinone moiety in the V2D-BBL structure enables synergistic interactions with the host (water) and guest (CH4) molecules involved in hydrate nucleation. Given their pre-designability and inherent stability, the FANs hold enormous potential as gas hydrate inhibitors for industrial applications.
AB - Fused aromatic networks (FANs) are attracting considerable interest in the scientific community because of their intriguing electronic properties and superior physiochemical stability due to their fully fused aromatic systems. Here, a three-dimensional (3D) cage-like organic network (3D-CON) and a vertical two-dimensional (2D) layered ladder structure (designated as V2D-BBL structure) were studied as materials for gas hydrate inhibitors because of their outstanding stability in high-pressure/low-temperature and periodically incorporated molecular building blocks. The V2D-BBL structure demonstrated remarkable performance, inhibiting the formation of both methane (CH4) and carbon dioxide (CO2) hydrates, comparable to conventional lactam-based polymers. It was determined that the designed perinone moiety in the V2D-BBL structure enables synergistic interactions with the host (water) and guest (CH4) molecules involved in hydrate nucleation. Given their pre-designability and inherent stability, the FANs hold enormous potential as gas hydrate inhibitors for industrial applications.
UR - http://hdl.handle.net/10754/673903
UR - https://linkinghub.elsevier.com/retrieve/pii/S1385894721052657
UR - http://www.scopus.com/inward/record.url?scp=85120308877&partnerID=8YFLogxK
U2 - 10.1016/j.cej.2021.133691
DO - 10.1016/j.cej.2021.133691
M3 - Article
SN - 1385-8947
SP - 133691
JO - Chemical Engineering Journal
JF - Chemical Engineering Journal
ER -