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|a eng
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| 100 |
1 |
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|a Clark, Louis A
|e verfasserin
|4 aut
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| 245 |
1 |
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|a Simulated adsorption properties and synthesis prospects of homochiral porous solids based on their heterochiral analogs
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| 264 |
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|c 2005
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| 336 |
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|a Text
|b txt
|2 rdacontent
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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|a Band
|b nc
|2 rdacarrier
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|a Date Completed 14.02.2006
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|a Date Revised 08.03.2005
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|a published: Print
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|a Citation Status PubMed-not-MEDLINE
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|a Molecular simulations of chiral molecules in porous heterochiral materials were performed to investigate fundamental adsorption properties and possibilities for production of homochiral porous solids. Zeolite BEA polymorph A and zeotype UCSB-7K each provide separated pores of opposite chirality. Single enantiomer and racemic mixture adsorption results are presented and indicate that significant equilibrium enantiomeric excesses of 40-70% in UCSB-7K and 10% in BEA can be achieved. Larger, better-fitting molecules display higher enantiomeric excesses. For dimethylallene, which moves on molecular dynamics time scales in UCSB-7K, self-diffusivities vary by almost an order of magnitude between the two opposite-handed UCSB-7K pores for a given enantiomer. The predicted properties indicate that equilibrium and nonequilibrium strategies using related homochiral materials for separations may be successful. To this end, a discussion of strategies for selectively blocking pores of one chirality on the basis of enantiomer segregation is provided
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|a Journal Article
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1 |
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|a Chempath, Shaji
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Snurr, Randall Q
|e verfasserin
|4 aut
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| 773 |
0 |
8 |
|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 21(2005), 6 vom: 15. März, Seite 2267-72
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|x 1520-5827
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|g volume:21
|g year:2005
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|g day:15
|g month:03
|g pages:2267-72
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| 952 |
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