Comparison of Cation Adsorption by Isostructural Rutile and Cassiterite
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12310%2F11%3A43870965" target="_blank" >RIV/60076658:12310/11:43870965 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/la1040163" target="_blank" >http://dx.doi.org/10.1021/la1040163</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/la1040163" target="_blank" >10.1021/la1040163</a>
Alternative languages
Result language
angličtina
Original language name
Comparison of Cation Adsorption by Isostructural Rutile and Cassiterite
Original language description
Macroscopic net proton charging curves for powdered rutile and cassiterite specimens with the (110) crystal face predominant, as a function of pH in RbCl and NaCl solutions, trace SrCl2 in NaCl, and trace ZnCl2 in NaCl and Na Triflate solutions, are compared to corresponding molecular-level information obtained from static DFT optimizations and classical MD simulations, as well as synchrotron X-ray methods. The similarities and differences in the macroscopic charging behavior of rutile and cassiterite largely reflect the cation binding modes observed at the molecular level. Cation adsorption is primarily inner-sphere on both isostructural (110) surfaces, despite predictions that outer-sphere binding should predominate on low bulk dielectric constant oxides such as cassiterite (epsilonbulk ? 11). Inner-sphere adsorption is also significant for Rb+ and Na+ on neutral surfaces, whereas Cl- binding is predominately outer-sphere. As negative surface charge increases, relatively more Rb+, Na
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—
Result continuities
Project
<a href="/en/project/ME09062" target="_blank" >ME09062: Computer modelling study of the structure and dynamics of mineral surfaces and biomembranes and their interactions with organic and inorganic ligands</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Langmuir
ISSN
0743-7463
e-ISSN
—
Volume of the periodical
27
Issue of the periodical within the volume
8
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
4585-4593
UT code for WoS article
000289321000043
EID of the result in the Scopus database
—