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Mechanochemistry at Solid Surfaces: Polymerization of Adsorbed Molecules by Mechanical Shear at Tribological Interfaces
journal contribution
posted on 2016-12-27, 00:00 authored by Jejoon Yeon, Xin He, Ashlie Martini, Seong H. KimPolymerization
of allyl alcohol adsorbed and sheared at a silicon
oxide interface is studied using tribo-tests in vapor phase lubrication
conditions and reactive molecular dynamics simulations. The load dependences
of product formation obtained from experiments and simulations were
consistent, indicating that the atomic-scale processes observable
in the simulations were relevant to the experiments. Analysis of the
experimental results in the context of mechanically assisted thermal
reaction theory, combined with the atomistic details available from
the simulations, suggested that the association reaction pathway of
allyl alcohol molecules induced by mechanical shear is quite different
from chemically induced polymerization reactions. Findings suggested
that some degree of distortion of the molecule from its equilibrium
state is necessary for mechanically induced chemical reactions to
occur and such a distortion occurs during mechanical shear when molecules
are covalently anchored to one of the sliding surfaces.
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Tribological Interfaces Polymerizationdistortionallyl alcoholMechanical Shearreaction theoryequilibrium stateassociation reaction pathwaydynamics simulationsatomistic detailsAdsorbed MoleculesSolid Surfacesexperimentsilicon oxide interfacevapor phase lubrication conditionsload dependencesproduct formationshearatomic-scale processeschemical reactionsallyl alcohol moleculespolymerization reactions
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