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Statistic-driven proton transfer affecting nanoscopic organization in an ethylammonium nitrate ionic liquid and 1,4-diaminobutane binary mixture: A steamy pizza model

Mariani, A.; Bonomo, M.; Passerini, S.

Abstract (englisch):
Herein, we report on the theoretical and experimental investigation of the chemical equilibrium in a Ethylammonium Nitrate (EAN)/1,4-Diaminobutane (DAB) binary mixture displaying a significant excess of the latter component (namely, a 1:9 mole ratio). Both the neutral compounds, i.e., ethylamine (EtNH2) and DAB, present very similar chemical properties, especially concerning their basic strength, resulting in a continuous jump of the proton from the ethylammonium to the diamine (and vice-versa). Due to the significant excess of DAB, the proton is (statistically) expected to be bound to one of its nitrogen atoms, leading to the formation of a new (ternary) mixture containing DAB (ca. 80%), ethylamine (ca. 10%) and 4-amino-1-butylammonium nitrate (ABAN, ca. 10%). This is probed by means of SAXS measurements, showing LqE (low q excess) that increases over time. This feature tends to stabilize after approximately one day. When the measurement is repeated after one year, the LqE feature shows an increased intensity. Based on the results of our simulations, we suggest that this phenomenon is likely due to partial ethylamine evaporation, pushing the equilibrium toward the formation of ABAN

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Verlagsausgabe §
DOI: 10.5445/IR/1000100834
Veröffentlicht am 12.12.2019
DOI: 10.3390/sym11111425
Zitationen: 2
Web of Science
Zitationen: 2
Cover der Publikation
Zugehörige Institution(en) am KIT Helmholtz-Institut Ulm (HIU)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2019
Sprache Englisch
Identifikator ISSN: 2073-8994
KITopen-ID: 1000100834
HGF-Programm 37.01.01 (POF III, LK 01) Fundamentals and Materials
Erschienen in Symmetry
Verlag MDPI
Band 11
Heft 11
Seiten Article No.1425
Vorab online veröffentlicht am 19.11.2019
Schlagwörter Ionic liquids; binary mixtures; proton transfer; SAXS; molecular dynamics
Nachgewiesen in Web of Science
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