ChemAtom Seminar: Energies and free energies in pure and dirty water clusters

Energies and free energies in pure and dirty water clusters

Klavs Hansen

Center for Joint Quantum Studies and Department of Physics,
School of Science, Tianjin University, Tianjin, P.R. China


Water clusters are the embryo of bulk water. In this talk I will present results on several thermodynamic properties of both pure and doped water clusters, in addition to measurements on mixed heavy-light water clusters, and try to draw the line to bulk properties.
The quantities studied include heat capacities, free energy differences and binding energies. They can be measured by application of the special features that characterize molecular beams created in sufficiently warm hot environments. These special features will be briefly reviewed.


[1] K. Hansen, M. Ryding, E. Uggerud:

Magic numbers and stabilities of heavy water clusters, (D2O)ND+, N = 3 – 48

Int. J. Mass Spectrom. 440 (2019) 14-19

[2] K. Hansen, A. E. K. Sundén, K. Støchkel, S. Brøndsted Nielsen, B. Dynefors:

Non-scrambling of hydrogen in NH4+ (H2O)3 clusters

RSC Adv. 9 (2019) 6620

[3] A.E.K. Sundén, K. Støchkel, P. Hvelplund, S. Brøndsted Nielsen, B. Dynefors, and

K. Hansen:

Stabilities of protonated water-ammonia clusters

J. Chem. Phys. 148 (2018) 184306

[4] K. Hansen, P. Andersson and E. Uggerud:

Activation energies for evaporation from protonated and deprotonated water clusters

from mass spectra

J. Chem. Phys. 131 (2009) 124303

[5] A.E.K. Sundén, K. Støchkel, S. Panja, U. Kadhane, P. Hvelplund, S. Brøndsted

Nielsen, H. Zettergren, B. Dynefors, and K. Hansen:

Heat capacities of freely evaporating charged water clusters

J. Chem. Phys. 130 (2009) 224308