Article Per Year (5 Year)
p-Index From 2021 - 2026
0
P-Index
This Author published in this journals
All Journal IPTEK Journal of Proceedings Series
Sundarti, Linda Windia
Institut Teknologi Sepuluh Nopember, Surabaya
Computer Science & IT

Published : 1 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search

 1 
QM/MM dynamics of Proton Transport in Chitosan/Phosphotungstic Acid Composite Membrane for Direct Methanol Fuel Cell Sundarti, Linda Windia
IPTEK Journal of Proceedings Series No 1 (2015): 1st International Seminar on Science and Technology (ISST) 2015
Publisher : Institut Teknologi Sepuluh Nopember

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.12962/j23546026.y2015i1.1024

Abstract

The aim of this research is to study proton transport in DMFC using chitosan/phosphotungstic acid (CS/PWA) composite membrane as Proton Exchange Membrane (PEM). Model of proton transport mechanism was proposed in order to investigate the proton transport rationality in CSPWA composite membrane, which is indicated by energy models. QM/MM dynamics method on the basis of CP2K code was used to calculate energy of the models. Results showed that the model of proton transport mechanism produced energy gradient. Interaction model of proton (H+ ion) and CS/PWA hydrated membrane has minimum QM/MM energy than the other models. The value of QM/MM energy of H+-CS/PWA hydrated is -312.717135970308 a.u
Co-Authors