Importance of hydrogen for low-temperature detemplation of high-silica MFI zeolite crystals

Adsorption of CO2, N2, CH4, and their mixtures on silicalite: A critical evaluation of force fields

“…Among the zeolites, the high silica MFI zeolite has been extensively investigated [1][2][3]. This kind of solid, over the past twenty years, has been considered the standard framework to investigate the mechanism of separation of gas mixtures by zeolitic materials [4].…”

Effect of template removal using plasma treatment on the structure and catalytic performance of MCM-22

“…6,7 Different attempts have been made for low-temperature decomposition of the template from zeolites. For instance, in order to reduce the calcination temperature, hydrocracking, 16 catalytic decomposition, 17 microwave irradiation, 18 and the use of oxidative gases such as ozone, 19 N 2 O, and NO 2 have been developed for template removal from zeolites. [20][21][22] However, these methods still require rather elevated temperatures (>200 C).…”

Proposição de um campo de força simplificado para avaliação da capacidade adsortiva de estruturas organometálicas visando a captura de dióxido de carbono

“…TraPPE [1] C Iwai [4] 236,10 3,720 0,0 CH4 OPLS [5] 147,90 3,730 0,0 CH4 TraPPE [6] C: 0,01 H: 15,30 C: 3,31 H: 3,31 0,0 0,0 CH4 TraPPE [7] 148,000 3,730 0,0 N2 TraPPE [1] N-N: 36,000 M-M: 0,000 N-N: 3,310 M-M: 0,00 N: -0,482 M: 0,964 N2 Makrodimitris [8] 36,200 3,299 0,0 B, C, D, E, F, G, H são parâmetros determinados em função da temperatura pelas equações:…”

“…N KP N KP ( 4 ) where N is the amount adsorbed, N max and K are the parameters related to the maximum capacity and Henry's coefficient, respectively, and ϕ is the fugacity coefficient, evaluated by the by Peng-Robinson equation [54].…”

“…4.53. As Figuras 4.50,4.51 e 4.52 mostram os resultados obtidos nas simulações de Monte Carlo para as misturas binárias CO2/CH4, CO2/N2 e CH4/N2 em IRMOF-1 a 298 K, respectivamente.…”