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T1  - Parametric Sensitivity in a Generalized Model for Atmospheric Pressure Chemical Ionization Reactions 
SN  -  /  
UR  - http://hdl.handle.net/10138/334409 
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A1  - Lattouf, Elie; Anttalainen, Osmo Antero; Kotiaho, Tapio; Hakulinen, Hanna Idamaria; Vanninen, Paula; Eiceman, Gary Alan 
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Y1  - 2021 
LA  - eng 
AB  - Gas phase reactions between hydrated protons H+(H2O)(n) and a substance M, as seen in atmospheric pressure chemical ionization (APCI) with mass spectrometry (MS) and ion mobility spectrometry (IMS), were modeled computationally using initial amounts of [M] and [H+(H2O)(n)], rate constants k(1) to form protonated monomer (MH+(H2O)(x)) and k(2) to form proton bound dimer (M2H+(H2O)(z)), and diffusion constants. At 1 x 10(10) cm(-3) (0.4 ppb) for [H+(H2O)(n)] and vapor concentrations for M from 10 ... 
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KW  - 116 Chemical sciences; atmospheric pressure chemical ionization; reaction kinetics; hydrated proton; rate constant; vapor concentration; protonated monomer; proton bound dimer; ION MOBILITY SPECTROMETRY; PROTONATED WATER CLUSTERS; MASS-SPECTROMETRY; ANALYTICAL PERFORMANCE; CORONA DISCHARGES; HYDRONIUM ION; HYDROGEN-BOND; KINETICS; THERMODYNAMICS; SOLVATION 
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