Colloids and Surfaces A 538 (2018) 703–710 Contents lists available at ScienceDirect Colloids and Surfaces A journal homepage: www.elsevier.com/locate/colsurfa Evaluation of interfacial properties of concentrated KCl solutions by molecular dynamics simulation Hong Peng , Mahshid Firouzi School of Chemical Engineering, The University of Queensland, Brisbane, Queensland 4072, Australia GR APHICAL A BSTRACT ARTICLE I NFO ABSTRACT Keywords: Understanding the interfacial properties of concentrated salt solutions is critical for various applications in Surface tension physical, chemical and biological processes. This study aims to evaluate the interfacial properties of potassium Surface potential chloride (KCl) solutions with concentrations ranging from 1 to 4M using the molecular dynamics simulation Molecular dynamics simulation technique. We used two diﬀerent water models, TIP4P/2005 and SPC/E to calculate the local density and angle TIP4P/2005 distribution, viscosity, interfacial tension and surface potential of the salt solutions. The surface tension values SPC/E predicted by the TIP4P/2005 model showed an incremental trend in agreement with experimental data. For KCl viscosity, the predictions of TIP4P/2005 are close to the experimental data, while the predictions of SPC/E are in poor agreement with the measured viscosities. Our results show that the selection of water models signiﬁcantly aﬀects the structure properties of concentrated KCl
Colloids and Surfaces A: Physicochemical and Engineering Aspects – Elsevier
Published: Feb 5, 2018
It’s your single place to instantly
discover and read the research
that matters to you.
Enjoy affordable access to
over 12 million articles from more than
10,000 peer-reviewed journals.
All for just $49/month
Read as many articles as you need. Full articles with original layout, charts and figures. Read online, from anywhere.
Keep up with your field with Personalized Recommendations and Follow Journals to get automatic updates.
It’s easy to organize your research with our built-in tools.
Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.
All the latest content is available, no embargo periods.
“Hi guys, I cannot tell you how much I love this resource. Incredible. I really believe you've hit the nail on the head with this site in regards to solving the research-purchase issue.”Daniel C.
“Whoa! It’s like Spotify but for academic articles.”@Phil_Robichaud
“I must say, @deepdyve is a fabulous solution to the independent researcher's problem of #access to #information.”@deepthiw
“My last article couldn't be possible without the platform @deepdyve that makes journal papers cheaper.”@JoseServera