Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Study of the chromatographic behaviour of selected alcohols and amines
Stockholm University, Faculty of Science, Department of Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Analytical Chemistry.
2011 (English)In: Analytical and Bioanalytical Chemistry, ISSN 1618-2642, E-ISSN 1618-2650, Vol. 399, no 3, 1335-1345 p.Article in journal (Refereed) Published
Abstract [en]

The gas chromatographic behavior of selected linear and non-linear alcohols and amines was investigated using four capillary columns containing phenyl substitution levels of 0%, 5%, and 50% and 50% cyanopropyl substitution. In a previous study, the positions of specific compounds inside the capillary column were iteratively modeled using only two thermodynamic parameters (ΔH and ΔS). The present study addresses the validation of the two-parameter model for retention time prediction for selected alcohols and amines using thermodynamic data obtained from as few as two data points. The difference between predicted and observed retention times under different temperature conditions was generally less than 1% of the experimental value and the predicted order of elution was correct in the used model.

Place, publisher, year, edition, pages
2011. Vol. 399, no 3, 1335-1345 p.
Keyword [en]
Gas chromatography, Alcohols, Amines, Prediction, Retention time
National Category
Analytical Chemistry
Research subject
Analytical Chemistry
Identifiers
URN: urn:nbn:se:su:diva-54987DOI: 10.1007/s00216-010-4418-9ISI: 000286599100033OAI: oai:DiVA.org:su-54987DiVA: diva2:399766
Available from: 2011-02-23 Created: 2011-02-23 Last updated: 2017-12-11Bibliographically approved
In thesis
1. Retention time predictions in Gas Chromatography
Open this publication in new window or tab >>Retention time predictions in Gas Chromatography
2011 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

In gas chromatography, analytes are separated by differences in their partition between a mobile phase and a stationary phase. Temperature-program, column dimensions, stationary and mobile phases, and flow rate are all parameters that can affect the quality of the separation in gas chromatography. To achieve a good separation (in a short amount of time) it is necessary to optimize these parameters. This can often be quite a tedious task.

Using computer simulations, it is possible to both gain a better understanding of how the different parameters govern retention and separation of a given set of analytes, and to optimize the parameters within minutes. In the research presented here, this was achieved by taking a thermodynamic approach that used the two parameters ΔH (enthalpy change) and ΔS (entropy change) to predict retention times for gas chromatography. By determining these compound partition parameters, it was possible to predict retention times for analytes in temperature-programmed runs. This was achieved through the measurement of the retention times of n-alkanes, PAHs, alcohols, amines and compounds in the Grob calibration mixture in isothermal runs. The isothermally obtained partition coefficients, together with the column dimensions and specifications, were then used for computer simulation using in-house software.

The two-parameter model was found to be both robust and precise and could be a useful tool for the prediction of retention times. It was shown that it is possible to calculate retention times with good precision and accuracy using this model. The relative differences between the predicted and experimental retention times for different compound groups were generally less than 1%.

The scientific studies (Papers I-IV) are summarized and discussed in the main text of this thesis. 

Place, publisher, year, edition, pages
Stockholm: Department of Analytical Chemistry, Stockholm University, 2011. 63 p.
Keyword
gas chromatography, computer simulation, two-parameter model, retention time prediction
National Category
Analytical Chemistry
Research subject
Analytical Chemistry
Identifiers
urn:nbn:se:su:diva-55088 (URN)978-91-7447-210-3 (ISBN)
Public defence
2011-04-01, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 10:00 (Swedish)
Opponent
Supervisors
Note
At the time of the doctoral defense, the following paper was unpublished and had a status as follows: Paper 4: Submitted.Available from: 2011-03-10 Created: 2011-02-28 Last updated: 2012-07-26Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Thewalim, YasarColmsjö, Anders
By organisation
Department of Analytical Chemistry
In the same journal
Analytical and Bioanalytical Chemistry
Analytical Chemistry

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 54 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf