The use of correlation equations for the prediction of retention parameters in gas-liquid chromatography

Набивач, В. М.; Dmitrikov, V. P.

doi:10.1070/rc1993v062n01abeh000003

Cited by 15 publications

(6 citation statements)

References 145 publications

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“…The adsorption and retention of a given species by a material depend of both, the adsorbate and absorbent properties [41,42]. The light hydrocarbons included in this study have different boiling points, and their separation by the used columns filled with Cu-BTC and Fe-BTC could be attributed to the adsorbate properties and not to the materials features.…”

Section: On the Nature Of The Observed Light Hydrocarbons Separationmentioning

confidence: 99%

Cu-BTC and Fe-BTC metal-organic frameworks: Role of the materials structural features on their performance for volatile hydrocarbons separation

Autié-Castro

Autié

Rodríguez‐Castellón

et al. 2015

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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Section: On the Nature Of The Observed Light Hydrocarbons Separationmentioning

confidence: 99%

Cu-BTC and Fe-BTC metal-organic frameworks: Role of the materials structural features on their performance for volatile hydrocarbons separation

Autié-Castro

Autié

Rodríguez‐Castellón

et al. 2015

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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“…47 Molecular descriptors, which are most frequently used for constructing sorption-structure cor relations, are TI, whose numerical values contain infor mation on the size and shape of molecules, sequence of connection of atoms and structural groups, and their mu tual arrangement. At present, the main region of applica tion of the TI in predicting retention values is the GLC method with the partition retention mechanism, whereas almost no TI are used in GAC.…”

Section: Resultsmentioning

confidence: 99%

Experimental and molecular statistical study of alkyladamantane adsorption on graphitized thermal carbon black

et al. 2008

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Experimental measurements and molecular statistics methods were used to calculate ther modynamic characteristics of adsorption (TCA) of alkyladamantanes of different structure on the surface of hydrogen treated graphitized thermal carbon black (GTCB) Carbopack C HT. High selectivity of separation of isomeric alkyladamantanes on GTCB is due to specific features of their geometry and electronic structure. The influence of the spatial structure of adsorbates on the TCA was established. Special attention was given to analysis of the heat capacities of adsorption. The best agreement between the experimental TCA and those calculated by the molecular statistics methods is achieved when the "cage effect" in the adamantane ring is taken into account. The corresponding corrections are introduced into the parameters of the atom atomic potential function of pair intermolecular interaction of the Me groups with the carbon atoms of the basal face of graphite, which are localized in the nodal positions of the lattice. The critical parameters for a large group of alkyladamantanes were calculated in terms of the addi tive group Lydersen method. A set of various topological indices used further for constructing structure-retention correlations on GTCB was obtained.At present the single natural source of adamantane and its alkyl derivatives is petroleum. 1-8 Alkyladamantanes of certain molecular weight are usually presented by mixtures of many isomers differed by both the structure of the alkyl group and the number and position of substituents in the adamantane skeleton. Isomeric alkyladamantanes often differ insignificantly from each other by physicochemical properties, which impedes their analysis and separation. There are a number of methods of isolating and concen trating alkyladamantanes such as thermodiffusion separa tion, formation of adducts with thiocarbamide, azeotropic distillation with steam or with tri(perfluorobutyl)amine. 2-4 A leading role belongs to preparative GLC followed by identification of isomers by high performance capil lary GLC on stationary phases (SP). 2,9-14 However, in spite of achieved success in studying the chromatographic behavior of this group of compounds under the GLC con ditions, a series of questions related to efficient separation and identification of some isomers with similar structure even in relatively narrow fractions remains unanswered so far. 2-5,10,12-14 The influence of specific features of the molecular structure of the adamantane framework on the chromato graphic behavior of adamantane derivatives under the con ditions of gas chromatography was studied by many au thors. It was found 15-19 by gas adsorption chromatogra phy (GAC) of adamantyl containing compounds on graphitized thermal carbon black (GTCB) that a possible reason for the different adsorption behavior of 1 and 2 functional adamantane derivatives is the "cage effect" in the adamantane system resulting in adsorption nonequiv alence of the substituents in the nodal and bridging posi tions of the adamantane framework. Analo...

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“…Henry adsorption constants of linear alkanes at 160°C show the expected exponential increase with carbon number. [32] Henry constants are systematically a factor of 1.4-1.5 larger on MCM-48 compared to Zeotile-2 ( Fig. 2).…”

Section: Resultsmentioning

confidence: 99%

“…[33] This separation is based on the difference in volatility or vapor pressure p sat of alkane isomers. In earlier theoretical and experimental work, it was shown that for the adsorption of homologous series of molecules on amorphous adsorbents, the retention volume (V g ) or the Henry adsorption constant correlates with the vapor pressure of the sorbate (p sat ) [32][33][34] log K H a: log p sat b…”

Section: Full Papermentioning

confidence: 99%

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Shape Selectivity in Adsorption of n‐ and Iso‐alkanes on a Zeotile‐2 Microporous/Mesoporous Hybrid and Mesoporous MCM‐48

Devriese

Cools

Aerts

et al. 2007

Adv Funct Materials

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The adsorption of linear and branched C5–C9 alkanes in the temperature range 50–250 °C on mesoporous MCM‐48 material and its microporous/mesoporous variant Zeotile‐2 at low surface coverage is investigated using the pulse chromatographic technique. On MCM‐48, the differences in adsorption between linear and branched alkanes are merely a result of differences in volatility, indicating that the MCM‐48 material does not present shape‐selective adsorption sites. On Zeotile‐2, there is a preferential adsorption of linear over branched alkanes. The difference arises from a difference in adsorption entropy rather than enthalpy. Upon their adsorption on Zeotile‐2 branched alkanes lose relatively more entropy than their linear isomers do. Zeolitic molecular pockets embedded in the walls of the mesoporous Zeotile‐2 impose steric constraints on the bulky isoalkanes. Zeotile‐2 combines adsorption properties from microporous and mesoporous materials. Compared to the nitrogen molecule, linear and branched C5–C9 alkanes are superior probes for investigating micropores and micropockets in hierarchical materials.

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The use of correlation equations for the prediction of retention parameters in gas-liquid chromatography

Cited by 15 publications

References 145 publications

Cu-BTC and Fe-BTC metal-organic frameworks: Role of the materials structural features on their performance for volatile hydrocarbons separation

Cu-BTC and Fe-BTC metal-organic frameworks: Role of the materials structural features on their performance for volatile hydrocarbons separation

Experimental and molecular statistical study of alkyladamantane adsorption on graphitized thermal carbon black

Shape Selectivity in Adsorption of n‐ and Iso‐alkanes on a Zeotile‐2 Microporous/Mesoporous Hybrid and Mesoporous MCM‐48

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