First principles Monte Carlo simulations of unary and binary adsorption: CO 2 , N 2 , and H 2 O in Mg-MOF-74

First principles Monte Carlo simulations of unary and binary adsorption: CO ₂ , N ₂ , and H ₂ O in Mg-MOF-74

Evgenii O. Fetisov, Mansi S. Shah, Jeffrey R. Long, Michael Tsapatsis, J. Ilja Siepmann

Research output: Contribution to journal › Article › peer-review

@article{fa5b468b71f9420d8b187633f581d80e,

title = "First principles Monte Carlo simulations of unary and binary adsorption: CO 2 , N 2 , and H 2 O in Mg-MOF-74",

author = "Fetisov, {Evgenii O.} and Shah, {Mansi S.} and Long, {Jeffrey R.} and Michael Tsapatsis and Siepmann, {J. Ilja}",

year = "2018",

doi = "10.1039/C8CC06178E",

language = "English (US)",

volume = "54",

pages = "10816--10819",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "77",

}

TY - JOUR

T1 - First principles Monte Carlo simulations of unary and binary adsorption: CO 2 , N 2 , and H 2 O in Mg-MOF-74

AU - Fetisov, Evgenii O.

AU - Shah, Mansi S.

AU - Long, Jeffrey R.

AU - Tsapatsis, Michael

AU - Siepmann, J. Ilja

PY - 2018

Y1 - 2018

U2 - 10.1039/C8CC06178E

DO - 10.1039/C8CC06178E

M3 - Article

C2 - 30152487

SN - 1359-7345

VL - 54

SP - 10816

EP - 10819

JO - Chemical Communications

JF - Chemical Communications

IS - 77

ER -