2023-10-052023-10-052016-07-11Kaya, Y. vd. (2016). "Protonated water clusters in TPC's". Nuclear Instruments & Methods in Physics Research Section A-Accelerators Spectrometers Detectors and Associated Equipment, 824, 535-537.0168-90021872-9576https://doi.org/10.1016/j.nima.2015.11.072https://www.sciencedirect.com/science/article/pii/S0168900215014370http://hdl.handle.net/11452/34213Water vapour is added to the ALICE TPC gas to enhance its stability. These polar molecules create large protonated water clusters around a H+ core. In this context, the reactions H3O+ (H2O)(n-1) + H2O -> H-3 O+(H2O)(n) (n=1-9) were studied in the gas phase. Structures for these clusters are suggested and the most stable structures for each cluster size are shown. The thermodynamic parameters Delta H-n-1,n(0), Delta G(n-1,n)(0), Delta S-n-1,n(0) and equilibrium constants K-n-1,K-n for the reaction were calculated to determine the size of the water clusters. The results are close to experimental data found in the literature. Protonated water clusters at stp have a size of 6-9 which corresponds to a mass of 127.1-181.2 g/mole.eninfo:eu-repo/semantics/closedAccessInstruments & InstrumentationNuclear science & technologyPhysicsProtonated water clusterDFT calculationsThermodynamic parametersGas detectorsGas-phaseIonEquilibrium constantsGas detectorsCluster sizesDFT calculationPolar moleculesProtonated water clustersStable structuresThermodynamic parameterWater clusterWater vapourProtonationArticle0003754087001812-s2.0-84966348753535537824Instruments & instrumentationNuclear science & technologyPhysics, nuclearPhysics, particles & fieldsMolecular Dynamics; Proton Transport; Chinese Continental Scientific Drilling Project