Looking for breakthrough ideas for innovation challenges? Try Patsnap Eureka!

Method for predicting retention time of gas phase chromatogram based on macromolecule crystallization behavior derivation retention equation

A technology of retention time and gas chromatography, applied in the field of gas chromatography, can solve the problems of large retention time prediction error, obvious deviation of retention equation, and few data points

Inactive Publication Date: 2014-04-16
TIANJIN UNIV
View PDF0 Cites 0 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0004] According to research and literature retrieval, at home and abroad, three data points including the temperature and the capacity factor at the corresponding temperature of the compound are used to establish the retention equation. However, due to the lack of data points, the retention equation established by simulation deviates from the retention equation obtained by experiment. It is more obvious, which makes the prediction error of retention time too large

Method used

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
View more

Image

Smart Image Click on the blue labels to locate them in the text.
Viewing Examples
Smart Image
  • Method for predicting retention time of gas phase chromatogram based on macromolecule crystallization behavior derivation retention equation
  • Method for predicting retention time of gas phase chromatogram based on macromolecule crystallization behavior derivation retention equation
  • Method for predicting retention time of gas phase chromatogram based on macromolecule crystallization behavior derivation retention equation

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0112] Instruments: HP6890 gas chromatograph, hydrogen flame ionization detector, 6890 gas chromatograph workstation;

[0113] Chromatographic column: non-polar HP-5 chromatographic column (5% phenylmethyl polysiloxane, 30m × 0.32mm × 0.25μm, Agilent Technologies Co., Ltd.);

[0114] Conditions: The temperature of the detector is 250°C, and the temperature of the injection port is 250°C;

[0115] Carrier gas: use high-purity nitrogen (purity not less than 99.999%);

[0116] Injection method: split injection, the split ratio is 50:1, each injection volume is 0.2ul, and the concentration is 1μg / ml;

[0117] Constant flow operation mode: the carrier gas is at the outlet of the column, and the mass flow rate is kept constant at 1.0ml / min;

[0118] Choose from three different temperature programs, which are:

[0119] A Program temperature rise 30℃→25℃ / min→250℃

[0120] B Program temperature rise 30℃→15℃ / min→250℃

[0121] C program temperature rise 30℃→5℃ / min→250℃

[0122] (1)...

Embodiment 2

[0138] The process and condition of the present embodiment are identical with embodiment 1, and difference is:

[0139] (1) The virtual dead time τ is 1.40min;

[0140](2) Calculate the capacity factors of methanol, heptane, and isoamyl acetate at six constant temperatures of 250°C, 200°C, 150°C, 100°C, 50°C, and 30°C according to formula 13 and take the natural logarithm. The natural logarithms of the capacity factors of methanol at corresponding temperature points are: -0.868, -0.637, -0.401, -0.157, 0.141, 0.329; the natural logarithms of the capacity factors of heptane at corresponding temperature points are: -0.829, -0.573 .

[0141] (3) Make scatter diagrams of the lnk of methanol, heptane, and isoamyl acetate changing with temperature T, respectively. Three data points selected for methanol (lnk a ,T a ), (lnk b ,T b ) and (lnk c ,T c ) are (0.329, 30°C), (-0.157, 100°C) and (-0.401, 150°C); the three data points selected for heptane are (1.613, 30°C), (0.133, 1...

Embodiment 3

[0151] The process and condition of the present embodiment are identical with embodiment 1, and difference is:

[0152] (1) The virtual dead time τ is 0.90min;

[0153] (2) Calculate the capacity factors of methanol, heptane, and isoamyl acetate at six constant temperatures of 250°C, 200°C, 150°C, 100°C, 50°C and 30°C according to formula 13 and take the natural logarithm. The natural logarithms of capacity factors at corresponding temperature points are: 0.189, 0.321, 0.468, 0.634, 0.853, 1.000; ; The natural logarithms of capacity factors of isoamyl acetate at corresponding temperature points are: 0.233, 0.398, 0.649, 1.205, 2.639, 3.617.

[0154] (3) Make scatter diagrams of the lnk of methanol, heptane, and isoamyl acetate changing with temperature T, respectively. Three data points selected for methanol (lnk a ,T a ), (lnk b ,T b ) and (lnk c ,T c ) are: (1.000, 30°C), (0.634, 100°C) and (0.468, 150°C); the three data points selected for heptane are (2.124, 30°C),...

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

PUM

No PUM Login to View More

Abstract

The invention discloses a method for predicting retention time of a gas phase chromatogram based on a macromolecule crystallization behavior derivation retention equation. The method comprises the following processes: deducing a retention equation curve which contains temperature and capacity factors based on macromolecule crystallization behavior, wherein the curve can be set up by only using three known data points which contain temperature and capacity factors of a compound at corresponding temperature; setting virtual dead time for a chromatographic column at a random temperature point according to measured retention time at a constant temperature; determining the capacity factor of the compound at the random temperature point through differentiating and integrating the whole chromatographic column according to the set retention equation curve; and predicting the retention time of the compound on the chromatographic column under a temperature-programming condition by using the data, and comparing the predicted retention time with an actually-measured value. The method for predicting the retention time of the gas phase chromatogram based on the macromolecule crystallization behavior derivation retention equation disclosed by the invention has the following advantages that: the number of adopted data points is few, and the number of experiments is reduced; the dead time has no need of measuring, and the process for predicting is simplified; and the predicting accuracy is high, and the application range is wide.

Description

technical field [0001] The invention relates to a method for predicting gas chromatography retention time by deriving a retention equation based on polymer crystallization behavior, and belongs to the technical field of gas chromatography. Background technique [0002] Gas chromatography is a very efficient technique for the separation and analysis of complex compound compositions. However, for complex components with a wide range of boiling point composition, it is usually time-consuming and labor-intensive to select appropriate temperature-programmed chromatographic separation conditions. By calculating and predicting the retention time of sample components under any programmed temperature rise conditions, it is possible to avoid blindly changing separation conditions based on experience, reduce the number of experiments, and quickly screen out the best temperature rise program, thereby realizing automatic optimization of chromatographic conditions. [0003] When people s...

Claims

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

Application Information

Patent Timeline
no application Login to View More
Patent Type & Authority Patents(China)
IPC IPC(8): G06F19/00
Inventor 范国樑李笑玮龚彩荣
Owner TIANJIN UNIV
Who we serve
  • R&D Engineer
  • R&D Manager
  • IP Professional
Why Patsnap Eureka
  • Industry Leading Data Capabilities
  • Powerful AI technology
  • Patent DNA Extraction
Social media
Patsnap Eureka Blog
Learn More
PatSnap group products

Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic, Popular Technical Reports.

© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap|About US| Contact US: help@patsnap.com