Simulated molecular-scale interaction of supercritical fluid mobile and stationary phases

Siders, Paul D.

doi:10.1016/j.chroma.2017.10.056

Simulated molecular-scale interaction of supercritical fluid mobile and stationary phases

Journal Article · Fri Dec 01 00:00:00 EST 2017 · Journal of Chromatography

DOI:https://doi.org/10.1016/j.chroma.2017.10.056· OSTI ID:1691614

Siders, Paul D.

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View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

OSTI ID:: 1691614

Journal Information:: Journal of Chromatography, Journal Name: Journal of Chromatography Journal Issue: C Vol. 1527; ISSN 0021-9673

Publisher:: ElsevierCopyright Statement

Country of Publication:: Netherlands

Language:: English

References (34)

The effect of adsorbed mobile phase components on the retention mechanism, efficiency, and peak distortion in supercritical fluid chromatography Berger, T. A. Chromatographia, Vol. 37, Issue 11-12 https://doi.org/10.1007/BF02274117	journal	December 1993
High-pressure adsorption of carbon dioxide on super-critical-fluid chromatography adsorbents Parcher, Jon F.; Strubinger, Joseph R. Journal of Chromatography A, Vol. 479 https://doi.org/10.1016/S0021-9673(01)83341-0	journal	January 1989
Densities and P-x-y diagrams for carbon dioxide dissolution in methanol, ethanol, and acetone mixtures Chang, Chiehming J.; Day, Chany-Yih; Ko, Ching-Ming Fluid Phase Equilibria, Vol. 131, Issue 1-2 https://doi.org/10.1016/S0378-3812(96)03208-6	journal	May 1997
Determination of thermodynamic properties by supercritical fluid chromatography Roth, Michal Journal of Chromatography A, Vol. 1037, Issue 1-2 https://doi.org/10.1016/j.chroma.2003.10.126	journal	May 2004
Chain conformation and solvent partitioning in reversed-phase liquid chromatography: Monte Carlo simulations for various water/methanol concentrations Zhang, Ling; Rafferty, Jake L.; Siepmann, J. Ilja Journal of Chromatography A, Vol. 1126, Issue 1-2 https://doi.org/10.1016/j.chroma.2006.06.003	journal	September 2006
Use of isopycnic plots in designing operations of supercritical fluid chromatography: II. The isopycnic plots and the selection of the operating pressure–temperature zone in supercritical fluid chromatography Tarafder, Abhijit; Guiochon, Georges Journal of Chromatography A, Vol. 1218, Issue 28 https://doi.org/10.1016/j.chroma.2011.05.041	journal	July 2011
Stationary phases for packed-column supercritical fluid chromatography Poole, Colin F. Journal of Chromatography A, Vol. 1250 https://doi.org/10.1016/j.chroma.2011.12.040	journal	August 2012
Packed column supercritical fluid chromatography of hydrophilic analytes via water-rich modifiers Taylor, Larry T. Journal of Chromatography A, Vol. 1250 https://doi.org/10.1016/j.chroma.2012.02.037	journal	August 2012
Characterization and use of hydrophilic interaction liquid chromatography type stationary phases in supercritical fluid chromatography West, Caroline; Khater, Syame; Lesellier, Eric Journal of Chromatography A, Vol. 1250 https://doi.org/10.1016/j.chroma.2012.05.008	journal	August 2012
Modifier adsorption in supercritical fluid chromatography onto silica surface Vajda, Péter; Guiochon, Georges Journal of Chromatography A, Vol. 1305 https://doi.org/10.1016/j.chroma.2013.06.075	journal	August 2013
The many faces of packed column supercritical fluid chromatography – A critical review Lesellier, Eric; West, Caroline Journal of Chromatography A, Vol. 1382 https://doi.org/10.1016/j.chroma.2014.12.083	journal	February 2015
History of supercritical fluid chromatography: Instrumental development Saito, Muneo Journal of Bioscience and Bioengineering, Vol. 115, Issue 6 https://doi.org/10.1016/j.jbiosc.2012.12.008	journal	June 2013
Surface Coverages of Bonded-Phase Ligands on Silica: A Computational Study Zhuravlev, Nikolay D.; Siepmann, J. Ilja; Schure, Mark R. Analytical Chemistry, Vol. 73, Issue 16 https://doi.org/10.1021/ac010298r	journal	August 2001
Chromatography with Dynamically Created Liquid “Stationary” Phases: Methanol and Carbon Dioxide Luo, Z.; Xiong, Y.; Parcher, J. F. Analytical Chemistry, Vol. 75, Issue 14 https://doi.org/10.1021/ac034070a	journal	July 2003
Supercritical Fluid Adsorption at the Gas-Solid Interface King, Jerry W. Supercritical Fluids https://doi.org/10.1021/bk-1987-0329.ch013	book	December 1987
Gauche Defects, Positional Disorder, Dislocations, and Slip Planes in Crystals of Long Methylene Sequences Liang, G. L.; Noid, D. W.; Sumpter, B. G. The Journal of Physical Chemistry, Vol. 98, Issue 45 https://doi.org/10.1021/j100096a018	journal	November 1994
Isothermal vapor-liquid equilibrium data for binary systems containing carbon dioxide at high pressures: methanol-carbon dioxide, n-hexane-carbon dioxide, and benzene-carbon dioxide systems Ohgaki, Kazunari; Katayama, Takashi Journal of Chemical & Engineering Data, Vol. 21, Issue 1 https://doi.org/10.1021/je60068a015	journal	January 1976
Monte Carlo Calculations for Alcohols and Their Mixtures with Alkanes. Transferable Potentials for Phase Equilibria. 5. United-Atom Description of Primary, Secondary, and Tertiary Alcohols Chen, Bin; Potoff, Jeffrey J.; Siepmann, J. Ilja The Journal of Physical Chemistry B, Vol. 105, Issue 15 https://doi.org/10.1021/jp003882x	journal	April 2001
Pore Size Effects on the Sorption of Supercritical CO ₂ in Mesoporous CPG-10 Silica Rother, Gernot; Krukowski, Elizabeth G.; Wallacher, Dirk The Journal of Physical Chemistry C, Vol. 116, Issue 1 https://doi.org/10.1021/jp209341q	journal	December 2011
Molecular Dynamics Simulation of Interaction between Supercritical CO ₂ Fluid and Modified Silica Surfaces Qin, Yan; Yang, Xiaoning; Zhu, Yongfang The Journal of Physical Chemistry C, Vol. 112, Issue 33 https://doi.org/10.1021/jp711964e	journal	August 2008
Influence of Residual Silanol Groups on Solvent and Ion Distribution at a Chemically Modified Silica Surface Melnikov, Sergey M.; Höltzel, Alexandra; Seidel-Morgenstern, Andreas The Journal of Physical Chemistry C, Vol. 113, Issue 21 https://doi.org/10.1021/jp8098544	journal	May 2009
Adsorption and Diffusion of Supercritical Carbon Dioxide in Slit Pores Zhou, Jian; Wang, Wenchuan Langmuir, Vol. 16, Issue 21 https://doi.org/10.1021/la000216e	journal	October 2000
Measuring and Modeling Supercritical Adsorption in Porous Solids. Carbon Dioxide on 13X Zeolite and on Silica Gel Hocker, Thomas; Rajendran, Arvind; Mazzotti, Marco Langmuir, Vol. 19, Issue 4 https://doi.org/10.1021/la0266379	journal	February 2003
Thermodynamics of Coupled Protein Adsorption and Stability Using Hybrid Monte Carlo Simulations Zhong, Ellen D.; Shirts, Michael R. Langmuir, Vol. 30, Issue 17 https://doi.org/10.1021/la500511p	journal	April 2014
Quantification of order in the Lennard-Jones system Errington, Jeffrey R.; Debenedetti, Pablo G.; Torquato, Salvatore The Journal of Chemical Physics, Vol. 118, Issue 5 https://doi.org/10.1063/1.1532344	journal	February 2003
Two general methods for grand canonical ensemble simulation of molecules with internal flexibility Chempath, Shaji; Clark, Louis A.; Snurr, Randall Q. The Journal of Chemical Physics, Vol. 118, Issue 16 https://doi.org/10.1063/1.1562607	journal	January 2003
Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics Fennell, Christopher J.; Gezelter, J. Daniel The Journal of Chemical Physics, Vol. 124, Issue 23 https://doi.org/10.1063/1.2206581	journal	June 2006
Gibbs ensemble Monte Carlo simulation of supercritical CO2 adsorption on NaA and NaX zeolites Liu, Shanshan; Yang, Xiaoning The Journal of Chemical Physics, Vol. 124, Issue 24 https://doi.org/10.1063/1.2206594	journal	June 2006
Hybrid Monte Carlo simulations of dense polymer systems Forrest, B. M.; Suter, U. W. The Journal of Chemical Physics, Vol. 101, Issue 3 https://doi.org/10.1063/1.467634	journal	August 1994
Adsorption of critical and supercritical fluids Kiselev, S. B.; Ely, J. F.; Belyakov, M. Yu. The Journal of Chemical Physics, Vol. 112, Issue 7 https://doi.org/10.1063/1.480919	journal	February 2000
Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation Delhommelle, JÉRÔMe; MilliÉ, Philippe Molecular Physics, Vol. 99, Issue 8 https://doi.org/10.1080/00268970010020041	journal	April 2001
Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble Panagiotopoulos, Athanassios Z. Molecular Physics, Vol. 61, Issue 4 https://doi.org/10.1080/00268978700101491	journal	July 1987
Constant pressure Gibbs ensemble Monte Carlo simulations of adsorption into narrow pores Mcgrother, Simon C.; Gubbins, Keith E. Molecular Physics, Vol. 97, Issue 8 https://doi.org/10.1080/00268979909482897	journal	October 1999
Conformational free energy of alkylsilanes by nonequilibrium-pulling Monte Carlo simulation Siders, Paul D. Molecular Simulation, Vol. 42, Issue 9 https://doi.org/10.1080/08927022.2015.1083101	journal	September 2015

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