Computer expert system for spectral line simulation and selection in inductively coupled plasma atomic emission spectrometry |
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| Affiliation: | 1. Departamento de Ciencias Físicas y Ambientales, Facultad de Ciencias Exactas, Universidad Nacional del Centro, Argentina;2. IFIMAT (UNCPBA-CIC-CONICET), Argentina;3. CIFICEN (UNCPBA-CONICET), Argentina;1. Theobald Science Center, Department of Biological and Chemical Sciences, New York Institute of Technology, Old Westbury, NY, 11568, USA;2. Department of Chemistry and Physics, McNeese State University, Lake Charles, LA, 70601, USA;3. Grand Forks Human Nutrition Research Center, Agricultural Research Center, US Department of Agriculture, Grand Forks, ND, 58203-9034, USA;4. School of Mining and Metallurgical Engineering, National Technical University of Athens, 9 Heroon Polytechniou str., 157 80 Zografos, Athens, Greece;5. Scientific Solutions, Gaithersburg, MD, 20822, USA;1. Chemical Processes and Materials Research Group, Laboratory for Bioenergy and Catalysis, Paul Scherrer Institute, Forschungsstrasse 111, CH-5232 Villigen PSI, Switzerland;2. École Polytechnique Fédérale de Lausanne (EPFL), ENAC IIE GR-LUD, CH-1015 Lausanne, Switzerland |
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| Abstract: | This paper is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta, Part B (SAB). This hardcopy text, comprising the main body and an appendix, is accompanied by a disk with programs, data files and a brief manual. The main body discusses purpose, design principle and usage of the computer software for the inductively coupled plasma atomic emission spectrometry (ICP-AES) expert system. The appendix provides a brief instruction on the manipulation of the demonstration program and relevant information on accessing the diskette.The computer software of the expert system has been developed in C++ language to simulate spectra and to select analytical lines in ICP-AES. This expert system is based on a comprehensive model of non-LTE ICP-AES, which includes expertise in plasma discharges, analyte ionization and excitation, and spectral-line shapes. The system also provides several databases in which essential elemental and spectral data are stored. A logic reasoning engine is utilized for selection of the best analytical line with a main criterion of minimizing the true detection limit. The system is user-friendly with pop-up menus, an editor for database operation, and a graphic interface for the display of simulated spectra. The system can simulate spectra and predict spectral interferences with good accuracy. |
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