Review on carbon nanotubes and carbon nanotube bundles for gas/ion separation and water purification studied by molecular dynamics simulation

Abstract

Water and air pollutants have huge impacts on the entire living system. In addition, the newly emerging nanopollutants, increasing global warming, and consequent climate changes are posing major threats to the freshwater or fresh air availability. This has made it urgent to invent an appropriate water/air treatment technology that removes nanopollutants and also desalinates water to a significant extent. Carbon-based nanomaterials have generated marvelous interest in a wide range of research activities due to their high adsorption capacities. Carbon nanotubes, carbon nanotube bundles, and related materials have potential applications in gas/ion separation and water purification. Recently, gas/ion separation and water purification through carbon-based nanomaterials have received increasing attention. This review summarizes the properties of carbon nanotubes and carbon nanotube bundles related to gas separation, ion separation, and water purification using molecular dynamics simulations. Membranes-based carbon nanomaterials show promise of water purification and gas separation. These attractive properties of carbon nanotubes-based and carbon nanotube bundles-based nanomaterials make them proper candidates for gas separation, gas molecular-sieving processes, and desalination purposes in nanoscale dimensions.

A Computational Study of a Single‐Walled Carbon‐Nanotube‐Based Ultrafast High‐Capacity Aluminum Battery

“…[30,33,34] It thus becomes important to look for other electrode materials that can overcomet he interlayer gallery openingd ifficultyi nt he first intercalation step in graphite-like layered materials [28,35] and increase the battery performance. [37][38][39][40][41][42][43][44][45][46][47] In addition, the tubulars tructure of CNTsa cts as ah ost for various molecules and atoms that can be encapsulated inside CNTs, andt hese hollow interior cavities provide ag reat deal of space for mitigating the strain associated with the structural change that is due to repeated guest intercalation/deintercalation, thereby increasing the cycle life of batteries. [36] The superior electronic and structural properties of carbon nanotubes have significantly spurredt he world's interest in the building blocks in future nanodevices.…”

“…Thel iterature surveys showt hat CNTsa re considerably more feasible for high-storage capacity than their correspondingg raphite counterpartsw ith hollow structures because CNTsh ave al arge surface area, more guest binding sites, and easy transmission. [37][38][39][40][41][42][43][44][45][46][47] In addition, the tubulars tructure of CNTsa cts as ah ost for various molecules and atoms that can be encapsulated inside CNTs, andt hese hollow interior cavities provide ag reat deal of space for mitigating the strain associated with the structural change that is due to repeated guest intercalation/deintercalation, thereby increasing the cycle life of batteries. [40,48,49] Very recently,a na luminuma symmetricc apacitor that utilized multiwalled carbon nanotubes and an Al metal anode was proposed;t his also involved adsorption/desorption and intercalation/deintercalation of AlCl 4 during charging/dischargingo f the capacitor.…”

Application of Carbon Nanotubes in Chiral and Achiral Separations of Pharmaceuticals, Biologics and Chemicals

“…Therefore, it was not surprising to find that A eluted after T as the molecular size of adenine is larger than that of thymine. The potential molecular sieving properties of carbon nanotubes and graphene has been recently reported [139,140]. When TX100 0.1mM was added as a surfactant to keep c-MWCNTs suspended in the buffer system, adenine and thymine eluted at much earlier time compared to c-MWCNT in buffer solution in the absence of TX-100.…”

“…These aggregations may occur due to the Van der Waals attractions among isolated CNTs and hydrogen bonding sites of the carboxylic groups attached to cSWCNTs. Analytes of different pore sizes pass through these aggregates in the separation process which indicates the role of CNTs in the formation of network-like structures and hence the separation of analytes [139,140].. It is believed that the tubule structure of SWCNT also plays a significant role in the separation process in CE [139,140]..…”

“…It is believed that the presence of c-SWCNTs in the buffer solution offers additional interaction sites with the analytes by forming an aggregation like a network with high surface area and molecular sieving properties [76]. The potential molecular sieving properties of carbon nanotubes and graphene has been recently reported [139,140]. These aggregations may occur due to the Van der Waals attractions among isolated CNTs and hydrogen bonding sites of the carboxylic groups attached to cSWCNTs.…”