ChemInform Abstract: THERMODYNAMIC PROPERTIES OF METAL HALIDES IN FUSED ORGANIC SALTS PART 3, THE INFLUENCE OF SOLUTE METAL IONS

1974 ◽  
Vol 5 (51) ◽  
pp. no-no
Author(s):  
KAZIMIERZ GATNER ◽  
ADOLF KISZA
Keyword(s):  
Thermodynamic Properties ◽  
Metal Ions ◽  
Metal Halides ◽  
Organic Salts

Thermodynamics Study of Removal of Heavy Metal by TiN-Nanotubes

2015 ◽  
Vol 14 (03) ◽  
pp. 1450024
Author(s):  
Leila Mahdavian
Keyword(s):  
Heavy Metal ◽  
Thermodynamic Properties ◽  
Aqueous Solutions ◽  
Metal Ions ◽  
Room Temperature ◽  
Basis Set ◽  
Surface Species ◽  
Computer Calculations ◽  
Gaussian Program ◽  
Metal Ions Removal

The ability of TiN -nanotube to remove lead ( Pb ( II )) and arsenic ( As ( III )) ions from aqueous solutions is investigated. The thermodynamics properties of Pb ( II ) and As ( III ) ions passing through TiN -nanotubes ( TiN - NTs ) is calculated in basis set (B3LYP/6-31G**) DFT-IR method by Gaussian program package. The results showed, Pb ( II ) and As ( III ) passing through had low potential in middle nanotubes, and are trapped in this place. The thermodynamic properties showed; the passing through are spontaneous and favorable because ΔGele (MJ/mol) is negative for them. The goal of this study is the detection of surface species of TiN - NTs for metal ions removal by using computer calculations. The structural and thermodynamic properties studied ions absorption on TiN - NTs at room temperature.

Thermodynamic properties of molybdate ion: reaction cycles and experiments

2015 ◽  
Vol 87 (5) ◽  
pp. 461-476 ◽  
Author(s):  
Heinz Gamsjäger ◽  
Masao Morishita
Keyword(s):  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Metal Ions ◽  
Enthalpy Of Formation ◽  
Alkaline Earth ◽  
Standard Entropy ◽  
Gibbs Energy Of Formation ◽  
Silver Molybdate ◽  
Gibbs Energies ◽  
Energy Of Formation

AbstractStandard molar quantities of molybdate ion entropy, $S_{\rm{m}}^0,$ enthalpy of formation, ${\Delta _{\rm{f}}}H_m^{\rm{o}},$ and Gibbs energy of formation, ${\Delta _{\rm{f}}}G_{\rm{m}}^{\rm{o}},$ are key data for the thermodynamic properties of molybdenum compounds and complexes, which are at present investigated by an OECD NEA review project. The most reliable method to determine ${\Delta _{\rm{f}}}H_{\rm{m}}^{\rm{o}}$ of molybdate ion and alkali molybdates directly consists in measuring calorimetrically the enthalpy of dissolution of crystallized molybdenum trioxide and anhydrous alkali molybdates in corresponding aqueous alkali metal hydroxide solutions. Solubility equilibria of sparingly soluble alkaline earth molybdates and silver molybdate lead to trustworthy data for ${\Delta _{\rm{f}}}G_{\rm{m}}^{\rm{o}}$ of molybdate ion. Thereby the Gibbs energies of the metal molybdates and the corresponding metal ions are combined with the Gibbs energies of dissolution. As reliable values are available for ${\Delta _{\rm{f}}}G_{\rm{m}}^{\rm{o}}$ of the relevant metal ions the problem reduces to select the best values of solubility constants and ${\Delta _{\rm{f}}}G_{\rm{m}}^{\rm{o}}$ of alkaline earth molybdates and silver molybdate. There are two independent possibilities to achieve the latter task. (1) ${\Delta _{\rm{f}}}H_{\rm{m}}^{\rm{o}}$ for alkaline earth molybdates and silver molybdate have been determined by solution calorimetry. Entropy data of molybdenum have been compiled and evaluated recently. CODATA key values are available for $S_{\rm{m}}^{\rm{o}}$ of the other elements involved. Whereas $S_{\rm{m}}^{\rm{o}}({\rm{CaMo}}{{\rm{O}}_4},{\rm{ cr}})$ is well known since decades, low-temperature heat capacity measurements had to be performed recently, but now reliable values for $S_{\rm{m}}^{\rm{o}}$ of Ag2MoO4(cr), BaMoO4(cr) and SrMoO4(cr) are available. (2) ${\Delta _{\rm{f}}}H_{\rm{m}}^{\rm{o}}({\rm{BaMo}}{{\rm{O}}_4},{\rm{ cr}}),$ for example, can be obtained from high temperature equilibria also, but the result is less accurate than that of the first method. Once Gibbs energy of formation, ${\Delta _{\rm{f}}}G_{\rm{m}}^{\rm{o}},$ and enthalpy of formation, ${\Delta _{\rm{f}}}H_{\rm{m}}^{\rm{o}},$ of molybdate ion are known its standard entropy, $S_{\rm{m}}^{\rm{o}},$ can be calculated.

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