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Software modernization for the portable
NMR spectrometer model
O.M. Molchanov1*, T.V. Pichka1
1Branch for Physics
of Mining Processes of the M.S. Poliakov
Institute of
Geotechnical Mechanics of the National Academy of Sciences of Ukraine,
Dnipro, Ukraine
*Corresponding
author: e-mail: molchanov@nas.gov.ua
Physical and technical
problems of mining production, 2023, (25), 15-30.
https://doi.org/10.37101/ftpgv25.01.002
full text (pdf)
ABSTRACT
Purpose. Modernization of the software, which
provides the working process of a portable specialized nuclear magnetic
resonance spectrometer on 1H hydrogen nuclei, that are aimed for
fossil coal samples study, processing and interpretation of research
results.
Methods. Was used universal general-purpose programming language Python. It
made possible to work on the development of all software modules for a
specialized NMR spectrometer.
Results. To improve portable NMR spectrometer
performance, was created new software. It includes
three parts: user interface, instrument control module, and calculation
module. Each module has its own tasks and responsible for performing
program functions. To store the experiments and calculations data will be
used structured data system, which forms Database. To build the software
modules, we took into account technical characteristics and features of the
specialized NMR spectrometers used for the fossil coal study, which are
designed for recording NMR on protons (1H). In the new software,
calculation module was created on Python. It could be used as a component of the general software, as
well as an independent program. Was given
algorithm for processing complex experimental spectra.
Originality. To equip a portable NMR spectrometer,
proposed to use a single-building software. Program module is developed using Python. It will take into account all
needs for registration and processing of complex spectra of coal samples.
Developed program will provide control for of discrete and analog output
channels operations and necessary parameters settings, processing and
interpretation of spectra.
Practical
implication. Software
modernization for specialized NMR spectrometers for coal samples study,
including, mobile portable NMR spectrometer, which is
used in mine laboratory, will allow to improve the performance of
express analysis of coal samples. It will improve the quality of the
analysis and increase the reliability of the recommendations provided on the basis of the analysis for coal mining operations.
Keywords: spectrometer,
nuclear magnetic resonance, coal, methane, automation of scientific
experiment, laboratory device
REFERENCES
1. Alexeev, A.D. (2010), Fizika uglja i gornih protsesov [Coal
and mining processes physics], Naukova Dumka, Kiev, Ukraine.
2. Kostenko, I.G., Molchanov, A.N., Sapunov,
E.P., Sluzbin, U.A., Pichka, T.V.
(2012). Build-in data processing system for portable NMR spectrometr. Fiziko-tehnicheskie
problemi gornogo proizvodstva, 15, 20-25.
3. Python
Software Foundation: https://www.python.org/.
4. Molchanov, A.N. (2011), “Improved equipment
complex for studying of coal sorption properties”. Fiziko-tehnicheskie problemi gornogo proizvodstva, Vol.
14, pp. 42-53.
5. Molchanov, A.N., Troitskii,
G.A., Pichka, T.V (2015). Complex 1H
NMR fossil coals spectra interpolation. Geotehnicheskay
mehanika, 124, 85-96.
6. Riverbank Computing. What is PyQt?: https://riverbankcomputing.com/software/pyqt/intro.
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