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All Journal Jurnal Ilmu Kimia Universitas Brawijaya
Saputri, Wahyu Dita
Brawijaya University
Chemical Engineering, Chemistry & Bioengineering Chemistry

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MODEL SEL SIMULASI SELF-ASSEMBLED MONOLAYER REVERSIBEL Saputri, Wahyu Dita
Jurnal Ilmu Kimia Universitas Brawijaya Vol 1, No 1 (2015)
Publisher : Jurusan Kimia, FMIPA Universitas Brawijaya

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Abstract

A simple model of simulation cell of self-assembled monolayer (SAM) with atomistic description was constructed for molecular simulation method. The SAM consists of protonated amine-alkanethiol immobiled on copper (Cu) as supporting surface. A molecular dynamics simulation was perfoemed using the constructed cell. The results showed that the simulation was stable and can be used to decribe the reversibility of SAM conformation.
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