Surface adsorption and bulk aggregation of cyclodextrins by computational molecular dynamics simulations as a function of temperature: α-CD vs β-CD

Journal of Physical Chemistry B

Volumn 118, Issue 25, 2014, Pages 6999-7011

  Mixcoha, Edgar ^a   Campos Terán, José ^b   Piñeiro, Ángel ^a  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^b DEPARTAMENTO DE PROCESOS Y TECNOLOGÍA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CYCLODEXTRINS; INDUSTRIAL APPLICATIONS; MOLECULAR DYNAMICS; MOLECULES; SOLUTIONS;

AGGREGATION PATTERNS; ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; COMPUTATIONAL STUDIES; INTRA-MOLECULAR HYDROGEN BONDS; LONG TRAJECTORIES; MOLECULAR DYNAMICS SIMULATIONS; SPONTANEOUS ADSORPTION; SURFACE ADSORPTION;

AGGREGATES;

ALPHA CYCLODEXTRIN DERIVATIVE; ALPHA-CYCLODEXTRIN; BETA CYCLODEXTRIN DERIVATIVE; WATER;

ADSORPTION; AIR; CHEMISTRY; MOLECULAR DYNAMICS; SOLUBILITY; TEMPERATURE; THERMODYNAMICS;

ADSORPTION; AIR; ALPHA-CYCLODEXTRINS; BETA-CYCLODEXTRINS; MOLECULAR DYNAMICS SIMULATION; SOLUBILITY; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 84903489865     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp412533b     Document Type: Article

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