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New Tools for Trapping and Separation in Gas Chromatography and Dielectrophoresis: Improved Performance by Aid of Computer Simulation
Stockholm University, Faculty of Science, Department of Analytical Chemistry.
2007 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Computer simulations can be useful aids for both developing new analytical methods and enhancing the performance of existing techniques. This thesis is based on studies in which computer simulations were key elements in the development of several new tools for use in gas chromatography and dielectrophoresis. In gas chromatography, gaseous analytes are separated by exploiting differences in their partitioning between different phases, and after their partitioning parameters have been determined the separations can be computationally predicted, and optimized, for a wide range of operating conditions. Similarly, in dielectrophoresis, particles with differing polarizability or size can be separated, and since particle trajectories within a separation device can be predicted using computations, the suitability of new designs, applications of forces and combinations of operational parameters can be assessed without necessarily making or empirically testing all of the variants.

Using two existing numerical methods combined with semi-empirical determinations of retention behavior, temperature-programmed gas chromatograms were predicted with less than one percent deviations from experimental data, and a new method for improving the capacity of a gas-trapping device was predicted and experimentally verified. In addition, two new concepts with potential capacity to enhance dielectrophoretic separations were developed and tested in simulations. The first provides a promising way to improve the trapping of bacteria in media with elevated conductivity by using super-positioned electric fields, and the second a way to increase selectivity in the separation of bio-particles by using multiple dielectrophoretic cycles. The studies also introduced a more accurate method for determining the conductivity of suspensions of bacteria, and a new computational method for determining the dielectrophoretic behavior of particles in concentrated suspensions.

The scientific studies are summarized and discussed in the main text of this thesis, and presented in detail in seven appended papers.

Place, publisher, year, edition, pages
Stockholm: Institutionen för analytisk kemi , 2007. , 92 p.
Keyword [en]
gas chromatography, dielectrophoresis, computer simulation, finite element method, trapping, separation, lab-on-a-chip
National Category
Analytical Chemistry
Research subject
Analytical Chemistry
Identifiers
URN: urn:nbn:se:su:diva-7170ISBN: 978-91-7155-526-7 (print)OAI: oai:DiVA.org:su-7170DiVA: diva2:197775
Public defence
2007-12-07, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 12 A, Stockholm, 10:00
Opponent
Supervisors
Available from: 2007-11-07 Created: 2007-11-07Bibliographically approved
List of papers
1. Ultra thick film open tubular traps with an increased inner diameter
Open this publication in new window or tab >>Ultra thick film open tubular traps with an increased inner diameter
2004 In: Journal of Chromatography A, Vol. 1047, 93–99- p.Article in journal (Refereed) Published
Identifiers
urn:nbn:se:su:diva-24544 (URN)doi:10.1016/j.chroma.2004.06.072 (DOI)
Note
Part of urn:nbn:se:su:diva-7170Available from: 2007-11-07 Created: 2007-11-07Bibliographically approved
2. Superpositioned dielectrophoresis for enhanced trapping efficiency
Open this publication in new window or tab >>Superpositioned dielectrophoresis for enhanced trapping efficiency
2005 In: Electrophoresis, Vol. 26, 4252–4259- p.Article in journal (Refereed) Published
Identifiers
urn:nbn:se:su:diva-24545 (URN)doi:10.1002/elps.200500068 (DOI)
Note
Part of urn:nbn:se:su:diva-7170Available from: 2007-11-07 Created: 2007-11-07Bibliographically approved
3. Multi-stepped dielectrophoresis for separation of particles
Open this publication in new window or tab >>Multi-stepped dielectrophoresis for separation of particles
2006 In: Journal of Chromatography A, Vol. 1131, 261–266- p.Article in journal (Refereed) Published
Identifiers
urn:nbn:se:su:diva-24546 (URN)doi:10.1016/j.chroma.2006.07.022 (DOI)
Note
Part of urn:nbn:se:su:diva-7170Available from: 2007-11-07 Created: 2007-11-07Bibliographically approved
4. Simulation of dielectrophoretic motion of microparticles using a molecular dynamics approach
Open this publication in new window or tab >>Simulation of dielectrophoretic motion of microparticles using a molecular dynamics approach
2006 In: Proceedings of ICNMM 2006, no 96095Article in journal (Refereed) Published
Identifiers
urn:nbn:se:su:diva-24547 (URN)
Note
Part of urn:nbn:se:su:diva-7170Available from: 2007-11-07 Created: 2007-11-07Bibliographically approved
5. Determination of conductivity of bacteria by using cross-flow filtration
Open this publication in new window or tab >>Determination of conductivity of bacteria by using cross-flow filtration
Show others...
2006 In: Biotechnology Letters, Vol. 28, 601–603- p.Article in journal (Refereed) Published
Identifiers
urn:nbn:se:su:diva-24548 (URN)doi:10.1007/s10529-006-0021-8 (DOI)
Note
Part of urn:nbn:se:su:diva-7170Available from: 2007-11-07 Created: 2007-11-07Bibliographically approved
6. Prediction of retention times of polycyclic aromatic hydrocarbons and n -alkanes in temperature-programmed gas chromatography
Open this publication in new window or tab >>Prediction of retention times of polycyclic aromatic hydrocarbons and n -alkanes in temperature-programmed gas chromatography
2007 (English)In: Analytical and Bioanalytical Chemistry, ISSN 1618-2642, E-ISSN 1618-2650, Vol. 389, no 3, 941-950 p.Article in journal (Refereed) Published
Abstract [en]

We have developed an iterative procedure for predicting the retention times of polycyclic aromatic hydrocarbons (PAHs) and n-alkanes during separations by temperature-programmed gas chromatography. The procedure is based on estimates of two thermodynamic properties for each analyte (the differences in enthalpy and entropy associated with movements between the stationary and mobile phases) derived from data acquired experimentally in separations under isothermal conditions at temperatures spanning the range covered by the temperature programs in ten-degree increments. The columns used for this purpose were capillary columns containing polydimethylsiloxane-based stationary phases with three degrees of phenyl substitution (0%, 5%, and 50%). Predicted values were mostly within 1% of experimentally determined values, implying that the method is stable and precise.

Keyword
Gas chromatography, Polycyclic aromatic hydrocarbons, n-Alkanes, Retention time, Prediction
National Category
Analytical Chemistry
Research subject
Analytical Chemistry
Identifiers
urn:nbn:se:su:diva-24549 (URN)10.1007/s00216-007-1528-0 (DOI)
Available from: 2007-11-07 Created: 2007-11-07 Last updated: 2017-12-13Bibliographically approved
7. Prediction of temperature-programmed gas chromatograms using the finite element method
Open this publication in new window or tab >>Prediction of temperature-programmed gas chromatograms using the finite element method
Article in journal (Refereed) Submitted
Identifiers
urn:nbn:se:su:diva-24550 (URN)
Note
Part of urn:nbn:se:su:diva-7170Available from: 2007-11-07 Created: 2007-11-07Bibliographically approved

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