onr:"swepub:oai:DiVA.org:uu-122558"
Search: onr:"swepub:oai:DiVA.org:uu-122558" > Effects of discrete...
- 1 of 1
- Previous record
- Next record
- To hitlist
- Grime, John M. A.Uppsala universitet,Fysikalisk kemi (author)
Effects of discrete charge clustering in simulations of charged interfaces
- Article/chapterEnglish2010
Publisher, publication year, extent ...
- 2010-09-13
- American Chemical Society (ACS),2010
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:uu-122558
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-122558URI
- https://doi.org/10.1021/ct100009mDOI
Supplementary language notes
- Language:English
- Summary in:English
Part of subdatabase
- SwePubSwePub
Classification
Notes
- A system of counterions between charged surfaces is investigated, with the surfaces represented by uniform charged planes and three different arrangements of discrete surface charges - an equispaced grid and two different clustered arrangements. The behaviors of a series of systems with identical net surface charge density are examined, with particular emphasis placed on the long ranged corrections via the method of “charged slabs” and the effects of the simulation cell size. Marked differences are observed in counterion distributions and the osmotic pressure dependent on the particular representation of the charged surfaces; the uniformly charged surfaces and equispaced grids of discrete charge behave in a broadly similar manner, but the clustered systems display a pronounced decrease in osmotic pressure as the simulation size is increased. The influence of the long ranged correction is shown to be minimal for all but the very smallest of system sizes.
Subject headings and genre
- NATURVETENSKAP Kemi Fysikalisk kemi hsv//swe
- NATURAL SCIENCES Chemical Sciences Physical Chemistry hsv//eng
- Physical chemistry
- Fysikalisk kemi
- Fysikalisk kemi
- Physical Chemistry
Added entries (persons, corporate bodies, meetings, titles ...)
- Khan, Malek O.Uppsala universitet,Fysikalisk kemi(Swepub:uu)malkh812 (author)
- Uppsala universitetFysikalisk kemi (creator_code:org_t)
Related titles
- In:Journal of Chemical Theory and Computation: American Chemical Society (ACS)6:10, s. 3205-32111549-96181549-9626
Internet link
Find in a library
- Journal of Chemical Theory and Computation (Search for host publication in LIBRIS)
To the university's database
- 1 of 1
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Grime, John M. A ...
- Khan, Malek O.
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Chemical Science ...
- and Physical Chemist ...
- Articles in the publication
- Journal of Chemi ...
- By the university
- Uppsala University
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
