Document Detail

A method for improving the calculation accuracy of acid-base constants by inverse gas chromatography.
MedLine Citation:
PMID:  22365568     Owner:  NLM     Status:  Publisher    
In this paper, studies were conducted in order to improve the calculation accuracy of acid-base constants measured by inverse gas chromatography. The conventional [Formula: see text] parameters of DCM (dichloromethane), TCM (trichloromethane), and EtAcet (ethyl acetate) were corrected as 185, 212, and 235Å(2)(mJ/m(2))(0.5) by analyzing the relationship between [Formula: see text] and the boiling temperature of the probe solvents, where a is molecular area and γ(l)(d) is surface dispersive free energy of the probe solvents, respectively. To validate the availability of the new [Formula: see text] values, the acid-base constants of polystyrene were measured. It was found that when the new [Formula: see text] parameters were adopted, the final linear fit degree for the plot of -ΔH(a)(s)/AN* versus DN/AN* was enhanced from 0.993 to 0.999, and the standard deviation was decreased from 0.344 to 0.156. In addition, the availability of general application to improving the calculation accuracy of acid-base constants with the new [Formula: see text] parameters was also proved with a mathematical justification.
Baoli Shi; Dawei Qi
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-2-9
Journal Detail:
Title:  Journal of chromatography. A     Volume:  -     ISSN:  1873-3778     ISO Abbreviation:  -     Publication Date:  2012 Feb 
Date Detail:
Created Date:  2012-2-27     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9318488     Medline TA:  J Chromatogr A     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Copyright Information:
Copyright © 2012. Published by Elsevier B.V.
Department of Chemistry, College of Science, Northeast Forestry University, Harbin, Heilongjiang 150040, China.
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