SKM 2021 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 6: Poster Session II

CPP 6.20: Poster

Dienstag, 28. September 2021, 17:30–19:30, P

Pressure and temperature-dependent changes in the microstructure of linear mono-ols — •Jennifer Bolle1, Alexander Faulstich1, Martina Požar2, Aurélien Perera3, Michael Paulus1, Metin Tolan1, and Christian Sternemann11Fakultät für Physik/DELTA, Technische Universität Dortmund, 44227 Dortmund, Germany — 2University of Split, Faculty of Science, Rudera Boškovića 33, 21000, Split, Croatia — 3Sorbonne Université, Laboratoire de Physique Théorique de la Matière Condensée, 4 Place Jussieu, F75252, Paris. cedex 05, France

Hydrogen bonds are essential for understanding the microscopic structure of water, aqueous solutions and associated fluids in general. They stabilize the structure of peptides and proteins and are the driving force for association in molecular fluids. In this study, the evolution of the microstructure of a series of linear monohydroxy alcohols (mono-ols) with temperature and pressure was investigated by X-ray diffraction at beamlines BL2 and BL9 of the synchrotron radiation source DELTA (TU-Dortmund, Germany). Comparing the behavior of the so-called pre-peak in the diffraction patterns of the mono-ols with increasing chain length, the influence of steric hindrance on the charge order of these liquids was systematically studied. The results are compared with calculated diffraction intensities based on molecular dynamics simulations and interpreted on the basis of changes in their microstructure. We observe that the charge order for all the studied alcohols is significantly affected by pressure and temperature and strongly depends on chain length.

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