Efficient and accurate methods for characterizing effects of framework flexibility on molecular diffusion in zeolites: CH4 diffusion in eight member ring zeolites

Journal of Physical Chemistry C

Volumn 117, Issue 26, 2013, Pages 13462-13473

  Awati, Rohan V ^a   Ravikovitch, Peter I ^b   Sholl, David S ^a  

^a Georgia Institute of Technology   (United States)

^b EXXONMOBIL UPSTREAM RESEARCH COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; ADSORBATE MOLECULES; CHARACTERISTIC FREQUENCIES; FRAMEWORK FLEXIBILITY; MOLECULAR DIFFUSION; NANO-POROUS MATERIALS; ORDERS OF MAGNITUDE; TRANSITION STATE THEORIES;

FLEXIBLE STRUCTURES; FORECASTING; LOADING; MOLECULAR DYNAMICS; MOLECULES; NANOPORES; PLASMA INTERACTIONS; POROUS MATERIALS; ZEOLITES;

DIFFUSION;

EID: 84879807148     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp402959t     Document Type: Article

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