Confined benzene within InOF-1: contrasting CO2 and SO2 capture behaviours

被引：11

作者：

Barrios-Vargas, Luz J. ^{[1
]}

Ruiz-Montoya, Jose G. ^{[2
]}

Landeros-Rivera, Bruno ^{[3
]}

Raziel Alvarez, J. ^{[1
]}

Alvarado-Alvarado, Daniel ^{[1
]}

Vargas, Rubicelia ^{[3
]}

Martinez, Ana ^{[4
]}

Gonzalez-Zamora, Eduardo ^{[3
]}

Caceres, Ludy M. ^{[5
]}

Morales, Juan C. ^{[2
,5
]}

Ibarra, Ilich A. ^{[1
]}

机构：

[1] Univ Nacl Autonoma Mexico, Lab Fis Quim & Reactividad Superficies LaFReS, Inst Invest Mat, CU, Circuito Exterior S-N, Mexico City 04510, DF, Mexico

[2] Univ Nacl Ingn, Lab Invest Electroquim Aplicada, Fac Ciencias, Ave Tupac Amaru 210, Lima, Peru

[3] Univ Autonoma Metropolitana Iztapalapa, Dept Quim, San Rafael Atlixco 185, Mexico City 09340, DF, Mexico

[4] Univ Nacl Autonoma Mexico, Inst Invest Mat, CU, Circuito Exterior S-N, Mexico City 04510, DF, Mexico

[5] Univ Lima, Fac Ingn & Arquitectura, Ave Javier Prado Este 4600, Lima 1503, Peru

来源：

DALTON TRANSACTIONS | 2020年 / 49卷 / 09期

关键词：

METAL-ORGANIC FRAMEWORKS; CARBON-DIOXIDE; SULFUR-DIOXIDE; WATER-VAPOR; ADSORPTION; GAS; SELECTIVITY;

D O I：

10.1039/c9dt04667d

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The confinement of small amounts of benzene in InOF-1 (Bz@InOF-1) shows a contradictory behavior in the capture of CO2 and SO2. While the capture of CO2 is increased 1.6 times, compared to the pristine material, the capture of SO2 shows a considerable decrease. To elucidate these behaviors, the interactions of CO2 and SO2 with Bz@InOF-1 were studied by DFT periodical calculations postulating a plausible explanation: (a) in the case of benzene and CO2, these molecules do not compete for the preferential adsorption sites within InOF-1, providing a cooperative CO2 capture enhancement and (b) benzene and SO2 strongly compete for these preferential adsorption sites inside the MOF material, reducing the total SO2 capture.

引用

页码：2786 / 2793

页数：8

共 44 条

[1] High and energy-efficient reversible SO2 uptake by a robust Sc(III)-based MOF [J].