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New Tools for Trapping and Separation in Gas Chromatography and Dielectrophoresis: Improved Performance by Aid of Computer Simulation
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för analytisk kemi.
2007 (engelsk)Doktoravhandling, med artikler (Annet vitenskapelig)
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.

sted, utgiver, år, opplag, sider
Stockholm: Institutionen för analytisk kemi , 2007. , s. 92
Emneord [en]
gas chromatography, dielectrophoresis, computer simulation, finite element method, trapping, separation, lab-on-a-chip
HSV kategori
Forskningsprogram
analytisk kemi
Identifikatorer
URN: urn:nbn:se:su:diva-7170ISBN: 978-91-7155-526-7 (tryckt)OAI: oai:DiVA.org:su-7170DiVA, id: diva2:197775
Disputas
2007-12-07, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 12 A, Stockholm, 10:00
Opponent
Veileder
Tilgjengelig fra: 2007-11-07 Laget: 2007-11-07bibliografisk kontrollert
Delarbeid
1. Ultra thick film open tubular traps with an increased inner diameter
Åpne denne publikasjonen i ny fane eller vindu >>Ultra thick film open tubular traps with an increased inner diameter
2004 Inngår i: Journal of Chromatography A, Vol. 1047, s. 93–99-Artikkel i tidsskrift (Fagfellevurdert) Published
Identifikatorer
urn:nbn:se:su:diva-24544 (URN)doi:10.1016/j.chroma.2004.06.072 (DOI)
Merknad
Part of urn:nbn:se:su:diva-7170Tilgjengelig fra: 2007-11-07 Laget: 2007-11-07bibliografisk kontrollert
2. Superpositioned dielectrophoresis for enhanced trapping efficiency
Åpne denne publikasjonen i ny fane eller vindu >>Superpositioned dielectrophoresis for enhanced trapping efficiency
2005 Inngår i: Electrophoresis, Vol. 26, s. 4252–4259-Artikkel i tidsskrift (Fagfellevurdert) Published
Identifikatorer
urn:nbn:se:su:diva-24545 (URN)doi:10.1002/elps.200500068 (DOI)
Merknad
Part of urn:nbn:se:su:diva-7170Tilgjengelig fra: 2007-11-07 Laget: 2007-11-07bibliografisk kontrollert
3. Multi-stepped dielectrophoresis for separation of particles
Åpne denne publikasjonen i ny fane eller vindu >>Multi-stepped dielectrophoresis for separation of particles
2006 Inngår i: Journal of Chromatography A, Vol. 1131, s. 261–266-Artikkel i tidsskrift (Fagfellevurdert) Published
Identifikatorer
urn:nbn:se:su:diva-24546 (URN)doi:10.1016/j.chroma.2006.07.022 (DOI)
Merknad
Part of urn:nbn:se:su:diva-7170Tilgjengelig fra: 2007-11-07 Laget: 2007-11-07bibliografisk kontrollert
4. Simulation of dielectrophoretic motion of microparticles using a molecular dynamics approach
Åpne denne publikasjonen i ny fane eller vindu >>Simulation of dielectrophoretic motion of microparticles using a molecular dynamics approach
2006 Inngår i: Proceedings of ICNMM 2006, nr 96095Artikkel i tidsskrift (Fagfellevurdert) Published
Identifikatorer
urn:nbn:se:su:diva-24547 (URN)
Merknad
Part of urn:nbn:se:su:diva-7170Tilgjengelig fra: 2007-11-07 Laget: 2007-11-07bibliografisk kontrollert
5. Determination of conductivity of bacteria by using cross-flow filtration
Åpne denne publikasjonen i ny fane eller vindu >>Determination of conductivity of bacteria by using cross-flow filtration
Vise andre…
2006 Inngår i: Biotechnology Letters, Vol. 28, s. 601–603-Artikkel i tidsskrift (Fagfellevurdert) Published
Identifikatorer
urn:nbn:se:su:diva-24548 (URN)doi:10.1007/s10529-006-0021-8 (DOI)
Merknad
Part of urn:nbn:se:su:diva-7170Tilgjengelig fra: 2007-11-07 Laget: 2007-11-07bibliografisk kontrollert
6. Prediction of retention times of polycyclic aromatic hydrocarbons and n -alkanes in temperature-programmed gas chromatography
Åpne denne publikasjonen i ny fane eller vindu >>Prediction of retention times of polycyclic aromatic hydrocarbons and n -alkanes in temperature-programmed gas chromatography
2007 (engelsk)Inngår i: Analytical and Bioanalytical Chemistry, ISSN 1618-2642, E-ISSN 1618-2650, Vol. 389, nr 3, s. 941-950Artikkel i tidsskrift (Fagfellevurdert) 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.

Emneord
Gas chromatography, Polycyclic aromatic hydrocarbons, n-Alkanes, Retention time, Prediction
HSV kategori
Forskningsprogram
analytisk kemi
Identifikatorer
urn:nbn:se:su:diva-24549 (URN)10.1007/s00216-007-1528-0 (DOI)
Tilgjengelig fra: 2007-11-07 Laget: 2007-11-07 Sist oppdatert: 2017-12-13bibliografisk kontrollert
7. Prediction of temperature-programmed gas chromatograms using the finite element method
Åpne denne publikasjonen i ny fane eller vindu >>Prediction of temperature-programmed gas chromatograms using the finite element method
Artikkel i tidsskrift (Fagfellevurdert) Submitted
Identifikatorer
urn:nbn:se:su:diva-24550 (URN)
Merknad
Part of urn:nbn:se:su:diva-7170Tilgjengelig fra: 2007-11-07 Laget: 2007-11-07bibliografisk kontrollert

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