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Development, calibration and deployment of an airborne chemical ionization mass spectrometer for trace gas measurements / Talat Khattatov. Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, Verlag, [2019] ; copyright 2019
Content
Acronyms
Introduction
Trace gases in the atmosphere
Sulfur dioxide SO2
Nitric acid HNO3
Hydrogen cyanide HCN
Platforms for measurements in the UTLS region
Satellites
Scientific Balloons
Aircraft
Chemical ionization time-of-flight mass spectrometry
Structure of the thesis
Fundamentals of CI TOF MS
Mass spectrometry
Negative-ion chemical ionization
Reagent ion formation
Ion molecule reaction
The TOF mass analyzer
Overlapping peaks in a mass spectrum
Theory
Resolution
Typical MS for chemical ionization with CO3- as a reagent ion.
Isotopologues in a mass spectrum
Calculations
Short overview of the Pyteomics 3.4 framework
Function to return all isotopologues
Results
Unresolved peaks
Contribution to open source
Chemical kinetics simulations
Theory
Reaction rates
Rate law
Change of concentration with time
Algorithm for solving systems of ordinary differential equations
Calculations
Residence time in the reaction zone
Initial values and calculations
Results
FunMass development and deployment
M-55 Geophysica
Overview
The inlet system
The ion source
The transfer stage
The ion funnel
CTOF
Gasdeck
Problems of high voltage devices in airborne instruments
Test flights and climate chamber tests
Test of components in the climate chamber
Instrument certification tests
Results of the test campaign in Kalamata, Greece
Full-up climate chamber tests
FunMass instrument performance during the campaign in Kathmandu
Characterization and calibration of FunMass
Signal processing
Laboratory calibration
Sensitivity
Error in calibration curve results
Limit of detection
Precision
Accuracy
Uncertainties in mixing ratios of the standards
Accuracy of the measurements
In-flight calibration
Discussion
Data acquisition and software
General requirements for software and language selection
TofWerk software
Data format
HDF5 format
FunMass data structure
FunMass program
Multitasking in Python
Synchronizing access to shared resources in Python
Queues in Python
Flight program
Data acquisition task
System monitor task
TOF high voltage task, IFS high voltage task and turbopump task
Measurement task
Independence of the tasks
Event logger
GUI application for FunMass
Results
FunMass results
Measurements and meteorological considerations
Meteorological situation
Data consistency and preliminary results
HCN
HNO3
A first FunMass and AURA-MLS comparison
HNO3 - O3 correlation
Lightning induced features in the FunMass measurements in Flight 6
Summary
Conclusions and outlook
Outlook
Bibliography
Flowcharts for the FunMass software
Multithreading in Python
Example of unsafe multithreading
Example of safe multithreading
Python listings
Contribution to pyteomics
FunMass software