Surface Phase Diagrams:  Evidence of Molecular Arrangements at the Aqueous-Solution/Solid Interface

Langmuir ◽  
2004 ◽  
Vol 20 (25) ◽  
pp. 11012-11021 ◽  
Author(s):  
Dominique Andrieux ◽  
Abdelhaq Acharid ◽  
Marie-Claire Fritsch ◽  
Jose Marquez Garcia ◽  
Marcos Martin Martin ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Phase Diagrams ◽  
Surface Phase ◽  
Solid Interface

Comparison of a Non Electrostatic Surface Complexation Model and Surface Phase Theories for Prediction of Future Sorption Properties.

2004 ◽  
Vol 824 ◽  
Author(s):  
Allan T. Emrén ◽  
Anna-Maria Jacobsson
Keyword(s):  
Aqueous Solution ◽  
Chemical Potential ◽  
Surface Complexation ◽  
Sorption Properties ◽  
Phase Method ◽  
Detailed Knowledge ◽  
Surface Phase ◽  
Surface Complexation Model ◽  
Advantages And Disadvantages ◽  
The One

AbstractIn performance assessments, sorption of radionuclides dissolved in groundwater is mostly handled by the use of fixed Kd values. It has been well known that this approach is unsatisfying. Only during the last few years, however, tools have become available that make it possible to predict the actual Kd value in an aqueous solution that differs from the one in which the sorption properties were measured.One such approach is surface complexation (SC) that gives a detailed knowledge of the sorption properties. In SC, one tries to find what kinds of sorbed species are available on the surface and the thermodynamics for their formation from species in the bulk aqueous solution. Recently, a different approach, surface phase method (SP), has been developed. In SP, a thin layer including the surface is treated as a separate phase. In the bulk aqueous solution, the surface phase is treated as a virtual component, and from the chemical potential of this component, the sorption properties can be found.In the paper, we compare advantages and disadvantages of the two kinds of models. We also investigate the differences in predicted sorption properties of a number of radionuclides (Co, Np, Th and U). Furthermore, we discuss under which circumstances, one approach or the other is preferable.

Liquid–solid interface of l-cysteine/TM (TM=Ni and Cu) in aqueous solution by means of sulfur K-edge NEXAFS

2007 ◽  
Vol 601 (18) ◽  
pp. 4154-4157 ◽  
Author(s):  
S. Yagi ◽  
Y. Matsumura ◽  
T. Nomoto ◽  
K. Soda ◽  
E. Hashimoto ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Solid Interface

scholarly journals Surface phase diagrams of La-based perovskites towards the O-rich limit from first principles

2019 ◽  
Vol 21 (24) ◽  
pp. 12859-12871 ◽  
Author(s):  
Yang Li ◽  
Jie Yang ◽  
Yi-An Zhu ◽  
Zhi-Jun Sui ◽  
Xing-Gui Zhou ◽  
...  
Keyword(s):  
Phase Diagrams ◽  
First Principles ◽  
Dft Study ◽  
Surface Phase ◽  
Oxygen Gas

A DFT study of surface phase diagrams of La-based perovskites in equilibrium with oxygen gas.

On the practical applications of MBE surface phase diagrams

1987 ◽  
Vol 81 (1-4) ◽  
pp. 49-54 ◽  
Author(s):  
S.M. Newstead ◽  
R.A.A. Kubiak ◽  
E.H.C. Parker
Keyword(s):  
Phase Diagrams ◽  
Surface Phase ◽  
Practical Applications

scholarly journals First-principles thermodynamics and experimental study of interface oxidation in Ni/Ni3Al structures

2019 ◽  
Vol 21 (33) ◽  
pp. 18316-18327
Author(s):  
Zhaowei Wang ◽  
Haiqing Pei ◽  
Jing Shang ◽  
Liangzhi Kou ◽  
Zhixun Wen ◽  
...  
Keyword(s):  
Experimental Study ◽  
Ab Initio ◽  
Phase Diagrams ◽  
First Principles ◽  
Oxidation Mechanism ◽  
Atomic Scale ◽  
Element Content ◽  
Surface Phase

Surface phase diagrams and element content obtained from ab initio thermodynamics and experiment reveal the atomic-scale oxidation mechanism of Ni/Ni3Al interfaces.

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