Interface-enhanced CO₂ capture via the synthetic effects of a nanomaterial-supported ionic liquid thin film

Abstract

The CO2 capture capability of ionic liquids can be effectively enhanced by synthetic effects of two interfacial regions induced by the insertion of nanomaterials.

Chemical Feedback in the Self-Assembly and Function of Air–Liquid Interfaces: Insight into the Bottlenecks of CO2 Direct Air Capture

“…Related work by Richmond and co-workers used vibrational sum frequency generation (SFG) spectroscopy and molecular dynamics (MD) simulations to study the surface behavior of the CO 2 sorbent monoethanolamine under CO 2 gas flow conditions with a goal to understand the complex interfacial chemistry behind CO 2 capture from concentrated streams, such as flue gas . Furthermore, the stability of the CO 2 -monoethanolamine zwitterion formed during the reaction at the air–aqueous interface, how changing solvent polarity can influence the CO 2 capture processes, and the role of interface in CO 2 capture using ionic liquids were also studied using MD simulations. , …”

Molecular Understanding of the Solid Interface-Induced Microstructures of 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide in Gas Absorption

“…For the other imidazole ILs, Yan et al 34 adopted molecular dynamics (MD) simulation and found that within 7.2 nm-wide rutile (110) slits filled with 1-butyl-3methylimidazolium hexafluorophosphate ([BMIM][PF 6 ]), CO 2 arranges itself in a highly ordered manner and accumulates near the rutile surface with low IL density rather than dispersing in the central space of slits with the bulk density of ILs. Through MD simulation, Liu et al 35 In our previous simulation studies, we systematically focused on the spatial distribution and molecular orientations of different nanoconfined fluids (water, alcohol, and ionic aqueous solutions) induced by solid interfaces with different hydrophilicities and identified the influence of special fluid molecular arrangements on their properties, such as flow and lubricity. 16,36,37 For [BMIM][PF 6 ], we found that nanoconfined ILs can exhibit a pronounced layered spatial distribution and that each layer has distinct characteristic microstructures.…”

“…For the other imidazole ILs, Yan et al adopted molecular dynamics (MD) simulation and found that within 7.2 nm-wide rutile (110) slits filled with 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM]­[PF 6 ]), CO 2 arranges itself in a highly ordered manner and accumulates near the rutile surface with low IL density rather than dispersing in the central space of slits with the bulk density of ILs. Through MD simulation, Liu et al found that when 1-ethyl-3-methylimidazolium tetrafluoroborate ([EMIM]­[BF 4 ]) is loaded on graphene and nitrogenized graphene, the subnanometer-thick (0.57 nm) [EMIM]­[BF 4 ] film possesses considerably higher CO 2 solubility than other [EMIM]­[BF 4 ] films with high thicknesses. Also, CO 2 assembled in the region of [EMIM]­[BF 4 ] films with low IL density.…”

Significant Improvement in CO2 Absorption by Deep Eutectic Solvents as Immobilized Sorbents: Computational Analysis

“…Because of the growing necessity for lowering CO 2 released to the atmosphere, the design of different types of materials for use in CO 2 absorption processes is of considerable importance. In particular, ionic liquid (IL) solvents have been recommended as effective ones. − For instance, both experimental and computational investigations observed the solubility and diffusivity of CO 2 in a number of ILs. − It is remarkable that IL solvents with potential properties, namely, excellent thermal and chemical stability, organic and nonvolatilizing nature, functional designability, and low vapor pressure, can effectively have great absorption capacity to CO 2 . However, a significant transfer rate for gas absorption in systems of ILs for CO 2 capture is limited because of their high viscosity.…”

“…The microscopic mechanism to understand the role of the thickness of the IL immobilized on solid surfaces in CO 2 absorption was also probed by MD simulations. , It has been clearly shown that the diffusion coefficients of the IL and CO 2 as well as the CO 2 absorption amount increased as the thickness of the coated IL decreased. To explore the CO 2 uptake by the ethaline DES confined inside a nanopore with a width of 5.2 nm, MD simulation studies have been used .…”