Gas sorption isotherms in swelling glassy polymers-Detailed atomistic simulations

Journal of Membrane Science

Volumn 428, Issue , 2013, Pages 523-532

  Hölck, Ole ^a,b   Böhning, Martin ^a   Heuchel, Matthias ^c   Siegert, Martin R ^c,d   Hofmann, Dieter ^c,e  

^a BAM FEDERAL INSTITUTE FOR MATERIALS RESEARCH AND TESTING   (Germany)

^b FRAUNHOFER IZM   (Germany)

^c INSTITUTE OF MATERIALS RESEARCH   (Germany)

^d MAX DELBRÜCK CENTER FOR MOLECULAR MEDICINE   (Germany)

^e FRAUNHOFER INSTITUTE FOR APPLIED POLYMER RESEARCH   (Germany)

Author keywords

Dilation; Gas sorption; Molecular modeling; Polyimide; Polymer of intrinsic microporosity (PIM 1); Polysulfone

Indexed keywords

ATOMISTIC SIMULATIONS; DILATION; DISTANCE SENSORS; GAS CONCENTRATION; GAS MOLECULES; GAS PRESSURES; GAS SORPTION; GLASSY POLYMERS; GRAND CANONICAL MONTE CARLO SIMULATION; HOLE-FILLING; HOST MATRICES; INTRINSIC MICROPOROSITY; LINEAR COMBINATIONS; MOLECULAR PACKINGS; PRESSURE RANGES; PURE POLYMERS; REFERENCE STATE; SIMULATION TECHNIQUE; STRUCTURAL REARRANGEMENT; SWELLING POLYMERS; VOLUME DILATION;

CARBON DIOXIDE; EXPERIMENTS; GASES; ISOTHERMS; MICROPOROSITY; MOLECULAR MODELING; POLYIMIDES; POLYSULFONES; SORPTION;

POLYMERS;

GLASS; POLYMER;

ARTICLE; ATOM; CHEMICAL STRUCTURE; CONCENTRATION (PARAMETERS); GAS; ISOTHERM; MOLECULAR MODEL; MONTE CARLO METHOD; PRESSURE; PRIORITY JOURNAL; SIMULATION; SWELLING; TEMPERATURE;

EID: 84870906444     PISSN: 03767388     EISSN: 18733123     Source Type: Journal    
DOI: 10.1016/j.memsci.2012.10.023     Document Type: Article

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