Understanding the Retention Mechanism in Reversed-Phase Liquid Chromatography: Insights from Molecular Simulation

被引：0
作者：
Rafferty, Jake L. [1 ]
Siepmann, J. Ilja [1 ,2 ]
Schure, Mark R. [3 ]
机构：
[1] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA
[2] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA
[3] Dow Chem Co USA, Theoret Separat Sci Lab, Spring House, PA USA
来源：
ADVANCES IN CHROMATOGRAPHY, VOL 48 | 2010年 / 48卷
关键词：
MONTE-CARLO SIMULATIONS; UNITED-ATOM DESCRIPTION; SUPERCRITICAL CARBON-DIOXIDE; CHIRAL STATIONARY-PHASE; N-OCTADECANE CHAIN; TRAPPE FORCE-FIELD; MOBILE-PHASE; TRANSFERABLE POTENTIALS; DYNAMICS SIMULATION; GIBBS ENSEMBLE;
D O I：
暂无
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
引用
收藏
页码：1 / 55
页数：55
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共 160 条
[81]   UNIFAC MODEL AS A HEURISTIC GUIDE FOR ESTIMATING RETENTION IN CHROMATOGRAPHY [J].
PARK, JH ;
LEE, JE ;
JANG, MD ;
LI, JJ ;
CARR, PW .
JOURNAL OF CHROMATOGRAPHY, 1991, 586 (01) :1-9
[82]   Solvent strength parameters and retention factors in pure water using UNIFAC-predicted activity coefficients [J].
Park, JH ;
Jung, YJ ;
Vitha, MF ;
Carr, PW .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2003, 42 (25) :6320-6330
[83]   UNIFAC MODEL AS A HEURISTIC GUIDE FOR ESTIMATING RETENTION IN REVERSED-PHASE LIQUID-CHROMATOGRAPHY [J].
PARK, JH ;
JANG, MD ;
CHAE, JJ ;
KIM, HC ;
SUH, JK .
JOURNAL OF CHROMATOGRAPHY A, 1993, 656 (1-2) :69-79
[84]   Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen [J].
Potoff, JJ ;
Siepmann, JI .
AICHE JOURNAL, 2001, 47 (07) :1676-1682
[85]   Influence of bonded-phase coverage in reversed-phase liquid chromatography via molecular simulation. I. Effects on chain conformation and interfacial properties [J].
Rafferty, Jake L. ;
Siepmann, J. Ilja ;
Schure, Mark R. .
JOURNAL OF CHROMATOGRAPHY A, 2008, 1204 (01) :11-19
[86]   Influence of bonded-phase coverage in reversed-phase liquid chromatography via molecular simulation. II. Effects on solute retention [J].
Rafferty, Jake L. ;
Siepmann, J. Ilja ;
Schure, Mark R. .
JOURNAL OF CHROMATOGRAPHY A, 2008, 1204 (01) :20-27
[87]   Molecular-level comparison of alkylsilane and polar-embedded reversed-phase liquid chromatography systems [J].
Rafferty, Jake L. ;
Siepmann, J. Ilja ;
Schure, Mark R. .
ANALYTICAL CHEMISTRY, 2008, 80 (16) :6214-6221
[88]   Retention mechanism in reversed-phase liquid chromatography: A molecular perspective [J].
Rafferty, Jake L. ;
Zhang, Ling ;
Siepmann, J. Ilja ;
Schure, Mark R. .
ANALYTICAL CHEMISTRY, 2007, 79 (17) :6551-6558
[89]   The effects of chain length, embedded polar groups, pressure, and pore shape on structure and retention in reversed-phase liquid chromatography: Molecular-level insights from Monte Carlo simulations [J].
Rafferty, Jake L. ;
Siepmann, J. Ilja ;
Schure, Mark. R. .
JOURNAL OF CHROMATOGRAPHY A, 2009, 1216 (12) :2320-2331
[90]  
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