Automation of data processing and calculation of retention parameters and thermodynamic data for gas chromatography

International Conference on Mechanical Engineering, Automation and Control Systems 2016

机械制造;无线电电子学;计算机科学

Makarycheva, A.I.^1 ; Faerman, V.A.^2

National Research Tomsk State University, Lenina Ave., 36, Tomsk

634050, Russia^1

National Research Tomsk Polytechnic University, Lenina Ave., 30, Tomsk

634050, Russia^2

关键词: Adsorption energies;    Chromatographic data;    Comparative analysis;    Data processing algorithms;    Isosteric heats of adsorptions;    Programming solutions;    Specific retention volumes;    Thermodynamic sorption;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/177/1/012029/pdf
DOI  :  10.1088/1757-899X/177/1/012029

学科分类：计算机科学（综合）

来源: IOP

【 摘 要 】

The analyses of automation patterns is performed and the programming solution for the automation of data processing of the chromatographic data and their further information storage with a help of a software package, Mathcad and MS Excel spreadsheets, is developed. The offered approach concedes the ability of data processing algorithm modification and does not require any programming experts participation. The approach provides making a measurement of the given time and retention volumes, specific retention volumes, a measurement of differential molar free adsorption energy, and a measurement of partial molar solution enthalpies and isosteric heats of adsorption. The developed solution is focused on the appliance in a small research group and is tested on the series of some new gas chromatography sorbents. More than 20 analytes were submitted to calculation of retention parameters and thermodynamic sorption quantities. The received data are provided in the form accessible to comparative analysis, and they are able to find sorbing agents with the most profitable properties to solve some concrete analytic issues.