Density functional molecular dynamics simulations investigation of proton transfer and inter-molecular reorientation under external electrostatic field perturbation: Case studies for water and imidazole systems

Density functional molecular dynamics simulations investigation of proton transfer and inter-molecular reorientation under external electrostatic field perturbation: Case studies for water and imidazole systems

Proton transfer is a governing factor in the proton exchange efficiency in membrane fuel cells (PEMFCs), which are an alternative environmentally friendly resource. To develop the capacity of the PEMFC system, anhydrous membranes containing imidazole groups have garnered much interest. In this resea...

Full description

Saved in:
Bibliographic Details
Main Authors: Piyarat Nimmanpipug, Janchai Yana, Vannajan Sanghiran Lee, Sornthep Vannarat, Suwabun Chirachanchai, Kohji Tashiro
Format: Journal
Published: 2018
Subjects:
Chemistry
Energy
Engineering
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84872090852&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/52407
Tags: Add Tag
No Tags, Be the first to tag this record!
Institution: Chiang Mai University

Internet

https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84872090852&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/52407

Similar Items