Abstract

The ultimate purpose of this research work is to get an insight into the incomplete elution of heavy n-alkanes which along with thermal cracking, is one of the two main factors questioning the reliability of High Temperature Gas Chromatography (HTGC) analysis of heavy oils. For this purpose, knowledge of how the Distribution Factors vary with temperature is an essential requirement in the GC modelling. This study provides an extension of the data set of distribution factors for n-alkanes up to nC98H198 in a HT5 GC column over the temperature range 10 °C–430 °C, and introduces a method to determine the distribution coefficient of heavy n-alkanes by using two complimentary HTGC modes: i.) High-Efficiency mode, for efficient resolution with a long column operated at low flow rate with n-alkanes elution rate up to nC64, and ii.) true SimDist mode, with a short column operated at high flow rate for inefficient resolution with n-alkanes elution rate up to nC100. Furthermore, this study demonstrates the use of the in-house obtained distribution factors as the main input in the in-house GC model for the prediction of the retention times. Its validation has been carried out using distribution factors obtained at both constant flow rate and constant inlet pressure operating conditions, with an average relative error in the GC modelling at the same operating conditions of 4.4% for the former and 1.5% for the latter. This new extension of the data set of heavy n-alkanes distribution factors provides the basis for studying the partitioning and incomplete elution of heavy n-alkanes in HTGC analysis. Also, these new distribution factors can be used as input in GC modelling, to determine the optimum analytical conditions to improve the separation process and thus the HTGC practices.
LanguageEnglish
JournalJournal of Chromatography A
Early online date14 Jan 2019
DOIs
StateE-pub ahead of print - 14 Jan 2019

Fingerprint

Gas chromatography
Paraffins
Flow rate
Temperature
Crude oil

Cite this

@article{e4133a19e3fc4e9880c8a45e226a7b22,
title = "Determination of distribution factors for heavy n-alkanes (nC12-nC98) in High Temperature Gas Chromatography",
abstract = "The ultimate purpose of this research work is to get an insight into the incomplete elution of heavy n-alkanes which along with thermal cracking, is one of the two main factors questioning the reliability of High Temperature Gas Chromatography (HTGC) analysis of heavy oils. For this purpose, knowledge of how the Distribution Factors vary with temperature is an essential requirement in the GC modelling. This study provides an extension of the data set of distribution factors for n-alkanes up to nC98H198 in a HT5 GC column over the temperature range 10 °C–430 °C, and introduces a method to determine the distribution coefficient of heavy n-alkanes by using two complimentary HTGC modes: i.) High-Efficiency mode, for efficient resolution with a long column operated at low flow rate with n-alkanes elution rate up to nC64, and ii.) true SimDist mode, with a short column operated at high flow rate for inefficient resolution with n-alkanes elution rate up to nC100. Furthermore, this study demonstrates the use of the in-house obtained distribution factors as the main input in the in-house GC model for the prediction of the retention times. Its validation has been carried out using distribution factors obtained at both constant flow rate and constant inlet pressure operating conditions, with an average relative error in the GC modelling at the same operating conditions of 4.4{\%} for the former and 1.5{\%} for the latter. This new extension of the data set of heavy n-alkanes distribution factors provides the basis for studying the partitioning and incomplete elution of heavy n-alkanes in HTGC analysis. Also, these new distribution factors can be used as input in GC modelling, to determine the optimum analytical conditions to improve the separation process and thus the HTGC practices.",
author = "Hernandez-Baez, {Diana M.} and Alastair Reid and Antonin Chapoy and Bahman Tohidi",
year = "2019",
month = "1",
day = "14",
doi = "10.1016/j.chroma.2019.01.035",
language = "English",
journal = "Journal of Chromatography A",
issn = "0021-9673",
publisher = "Elsevier",

}

Determination of distribution factors for heavy n-alkanes (nC12-nC98) in High Temperature Gas Chromatography. / Hernandez-Baez, Diana M.; Reid, Alastair; Chapoy, Antonin; Tohidi, Bahman.

In: Journal of Chromatography A, 14.01.2019.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Determination of distribution factors for heavy n-alkanes (nC12-nC98) in High Temperature Gas Chromatography

AU - Hernandez-Baez,Diana M.

AU - Reid,Alastair

AU - Chapoy,Antonin

AU - Tohidi,Bahman

PY - 2019/1/14

Y1 - 2019/1/14

N2 - The ultimate purpose of this research work is to get an insight into the incomplete elution of heavy n-alkanes which along with thermal cracking, is one of the two main factors questioning the reliability of High Temperature Gas Chromatography (HTGC) analysis of heavy oils. For this purpose, knowledge of how the Distribution Factors vary with temperature is an essential requirement in the GC modelling. This study provides an extension of the data set of distribution factors for n-alkanes up to nC98H198 in a HT5 GC column over the temperature range 10 °C–430 °C, and introduces a method to determine the distribution coefficient of heavy n-alkanes by using two complimentary HTGC modes: i.) High-Efficiency mode, for efficient resolution with a long column operated at low flow rate with n-alkanes elution rate up to nC64, and ii.) true SimDist mode, with a short column operated at high flow rate for inefficient resolution with n-alkanes elution rate up to nC100. Furthermore, this study demonstrates the use of the in-house obtained distribution factors as the main input in the in-house GC model for the prediction of the retention times. Its validation has been carried out using distribution factors obtained at both constant flow rate and constant inlet pressure operating conditions, with an average relative error in the GC modelling at the same operating conditions of 4.4% for the former and 1.5% for the latter. This new extension of the data set of heavy n-alkanes distribution factors provides the basis for studying the partitioning and incomplete elution of heavy n-alkanes in HTGC analysis. Also, these new distribution factors can be used as input in GC modelling, to determine the optimum analytical conditions to improve the separation process and thus the HTGC practices.

AB - The ultimate purpose of this research work is to get an insight into the incomplete elution of heavy n-alkanes which along with thermal cracking, is one of the two main factors questioning the reliability of High Temperature Gas Chromatography (HTGC) analysis of heavy oils. For this purpose, knowledge of how the Distribution Factors vary with temperature is an essential requirement in the GC modelling. This study provides an extension of the data set of distribution factors for n-alkanes up to nC98H198 in a HT5 GC column over the temperature range 10 °C–430 °C, and introduces a method to determine the distribution coefficient of heavy n-alkanes by using two complimentary HTGC modes: i.) High-Efficiency mode, for efficient resolution with a long column operated at low flow rate with n-alkanes elution rate up to nC64, and ii.) true SimDist mode, with a short column operated at high flow rate for inefficient resolution with n-alkanes elution rate up to nC100. Furthermore, this study demonstrates the use of the in-house obtained distribution factors as the main input in the in-house GC model for the prediction of the retention times. Its validation has been carried out using distribution factors obtained at both constant flow rate and constant inlet pressure operating conditions, with an average relative error in the GC modelling at the same operating conditions of 4.4% for the former and 1.5% for the latter. This new extension of the data set of heavy n-alkanes distribution factors provides the basis for studying the partitioning and incomplete elution of heavy n-alkanes in HTGC analysis. Also, these new distribution factors can be used as input in GC modelling, to determine the optimum analytical conditions to improve the separation process and thus the HTGC practices.

U2 - 10.1016/j.chroma.2019.01.035

DO - 10.1016/j.chroma.2019.01.035

M3 - Article

JO - Journal of Chromatography A

T2 - Journal of Chromatography A

JF - Journal of Chromatography A

SN - 0021-9673

ER -