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A Cellular Automata Model of Proton Hopping Down a Channel
Author(s) -
Kier Lemont B.,
Tombes Robert,
Hall Lowell H.,
Cheng ChaoKun
Publication year - 2013
Publication title -
chemistry and biodiversity
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.427
H-Index - 70
eISSN - 1612-1880
pISSN - 1612-1872
DOI - 10.1002/cbdv.201200178
Subject(s) - chemistry , proton , hydronium , covalent bond , molecule , atom (system on chip) , ion , hydrogen bond , chemical physics , crystallography , physics , organic chemistry , quantum mechanics , computer science , embedded system
Proton hopping is the process where a H‐atom on a hydronium ion forms a H‐bond with the O‐atom of a neighboring H 2 O molecule. There is then an exchange of bonding forces when that covalent bond of the H‐atom in the hydronium ion changes to a H‐bond, and the previous H‐bond changes to a covalent bond with the neighboring O‐atom. The neighboring molecule now becomes a hydronium (H 3 O + ) ion. This process repeats itself very rapidly among neighboring hydronium and H 2 O molecules. There is a flow of protonic character through bulk H 2 O, referred to as proton hopping. This process carries information through living systems where H 2 O is present. A cellular automata model of proton hopping down a channel has been created and studied. Variations in the rate of proton entry into the channel and the effects of the polar character of the channel walls was studied using the model. The behavior of the models corresponds to experimental results.