Monte carlo simulations and experiments of all-silica zeolite LTA assembly combining structure directing agents that match cage sizes was written by Bores, Cecilia;Luo, Song;David Lonergan, J.;Richardson, Eden;Engstrom, Alexander;Fan, Wei;Auerbach, Scott M.. And the article was included in Physical Chemistry Chemical Physics in 2022.Formula: C4H12ClN The following contents are mentioned in the article:
The effect is investigated of organic structure-directing agents (OSDAs) on the formation rates of all-silica zeolite LTA using both simulations and experiments, to shed light on the crystallization process. Syntheses are compared using one OSDA with a diameter close to the size of the large cavity in LTA and two OSDAs of diameters matching the sizes of both the small and large LTA cavities. Reaction-ensemble Monte Carlo (RxMC) simulations predict a speed up of LTA formation using two OSDAs matching the LTA pore sizes; this qual. result is confirmed by exptl. studies of crystallization kinetics, which find a speedup in all-silica LTA crystallization of a factor of 3. Analyses of simulated rings and their Si-O-Si angular energies during RxMC crystallizations show that all ring sizes in the faster crystallization exhibit lower angular energies, on average, than in the slower crystallization, explaining the origin of the speedup through packing effects. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Formula: C4H12ClN).
Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Formula: C4H12ClN
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics