Summary
Program temperature retention indices for fifteen nonalkane solutes have been determined by cubic splines, by other procedures found in the literature and by interpolation of the n-alkanes retention time logarithm for eleven temperature programs. A comparison in terms of variance of the differences between PTRI calculated by CS and each of the remaining methods is made for each of the eleven program runs, for each of the three stationary phases used and for many of the programs. The smallest variances obtained result when the Zenkevich, van den Dool & Kratz and Chen et al. methods are tested. The stationary phase polarity is of no relevance since it has no effect on the specific PTRI found by the different methods employed in this work.
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Abbreviations
- TR :
-
retention temperature
- T0 :
-
initial temperature
- r:
-
programming rate, °C/min and correlation coefficient
- IL :
-
PTRI calculated by van den Dool & Kratz
- TR (S) :
-
retention temperature of a solute
- TR(Z+N) :
-
TR (Z), retention temperatures of the (Z+N) and Z carbons n-alkanes
- N:
-
Z+N-Z carbon atoms
- IG :
-
PTRI calculated by Golovnya & Uraletz
- I(T0):
-
isothermal retention index at T0
- tR :
-
retention time
- dI/dT:
-
isothermal retention index gradient
- IE :
-
PTRI calculated by Erdey et alia
- A, B, and C:
-
constants calculated from isothermal data
- IZ :
-
PTRI calculated by Zenkevich et al
- K:
-
(Z+K)-Z carbon number
- q:
-
parameter estimated from the carbon atoms number and the tR of three n-alkanes not necessarily correlative
- tR, x :
-
retention time of a solute x
- tR, Z, tR,Z+1 :
-
retention times of n-alkanes emerging immediately before and after the solute x
- IW :
-
PTRI calculated by Wang & Sun
- m:
-
power to which retention time is raised in this formulation
- k′Z, k′x :
-
capacity factors of n-alkanes and the other solutes in Podmaniczky formulation
- tm :
-
holdup time
- Ip :
-
PTRI calculated by Podmaniczky
- a, b, c:
-
parameters of the Podmaniczky parabolas, calculated from three k′Z data
- ICH :
-
PTRI calculated by Chen et alia
- T:
-
solute retention temperature
- TZ, TZ+1 :
-
retention temperatures of the Z and Z+1 n-alkanes
- t′R :
-
adjusted retention times
- B′:
-
parameter obtained by l. r. of the straight lines log (tR) of n-alkanes versus 1/T
- α:
-
thermal coefficient calculated from two isothermal holdup time values
- T1, T2:
-
two isothermal temperatures
- p, n:
-
slope and interception of the l. r. of the straight lines log (tR) against Z
- t′R, Z(T), t′R.Z+1 :
-
(T) corrected retention time for the Z and Z+1 n-alkanes
- Il, IC :
-
PTRI calculated by Eq. (15) and (16), respectively
- RID (i):
-
retention index difference between CS and calculated by the method of Eq. (i)
- RID (KOV):
-
difference between CS PTRI and calculated by Kováts isothermal formula
- s 2x :
-
\(variance = \sum\limits_{i = 1}^N {(RID (i)^2 )/(N - 1)} \)
- N:
-
number of non alkane solutes
- VS:
-
variance summation, parameter taken as a hundred times the sum of variances for the eleven program runs executed
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García Domínguez, J.A., Santiuste, J.M. Cubic splines compared with other methods for the calculation of programmed temperature retention indices. Chromatographia 32, 116–124 (1991). https://doi.org/10.1007/BF02325013
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DOI: https://doi.org/10.1007/BF02325013