Stability of a phosphonic acid monolayer on aluminum in liquid environments
نویسندگان
چکیده
منابع مشابه
The Solvent Effects on Relative Stability of allolybdatc-Phosphonic Acid Complex: A Theoretical Study
The structure and relative stability of Molybdata-Phosphonic Acid (MP) Complex in different solventshave been carried out using Density Functional Theory (DP[) methods. The methods me used forcalculations are B3LYP and 83PW91. that have been studied in two series of basis sets: D95"and 6-31+0(cl,p) for hydrogen and oxygen atoms; LANL2OZ for Mn and Phosphorus. Predicted geometw and relativestabi...
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متن کاملA Density Functional Theory Study of Structure of Phosphonic Acid
The molecular structure of the stable conformation of phosphonic acid in gas phase has beencomputed by employing complete geometry optimization in Density Functional Theory(DFT) methods. The methods used for calculations are B3LYP, BP86 and B3PW91 that havebeen studied in two series of basis sets: D95** and 6-31+G(d,p) for hydrogen and oxygenatoms; LANL2DZ for phosphorus. Bond lengths and angle...
متن کاملa theoretical study of the stability and dielectric constants of molybdate-phosphonic acid complex
in this work, we investigated the stability of molybdate-phosphonic acid (mpa) complex by density functionaltheory (dft) computations in six solvents with the dielectric constant ranging from 1.92 to 10.36. the methodsare used for calculations are b3lyp and b3pw9 i that have been studied in two series of basis sets: d95nand6-31+g (d,p) for hydrogen and oxygen atoms; lanl2dz for mo and phosphoru...
متن کاملNew water-soluble metal working fluids additives from phosphonic acid derivatives for aluminum alloy materials.
Water-soluble metal working fluids are used for processing of aluminum alloy materials. This short paper describes properties of new additives for water-soluble cutting fluids for aluminum alloy materials. Some alkyldiphosphonic acids were prepared with known method. Amine salts of these phosphonic acids showed anti-corrosion property for aluminum alloy materials. However, they have no hard wat...
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ژورنال
عنوان ژورنال: Japanese Journal of Applied Physics
سال: 2019
ISSN: 0021-4922,1347-4065
DOI: 10.7567/1347-4065/ab4ec1