Issue 5, 2005
From the journal:

Green Chemistry

A design-of-experiments approach to modeling activity coefficients in solvent mixtures: a case study using platinum(ii) acetylacetonate in mixtures of acetone, cyclohexanol, 1,2,3,4-tetrahydronaphthalene and propylene carbonate†

Scott Flanagan,*a   Eric Hall,a   Wade Bowie,a   James W. Fuhs,b   Robbie Logan,a   Farzaneh Manieic  and  Andrew Hunta  

* Corresponding authors

a nGimat Co., nanoEngineered Materials, 5315 Peachtree Industrial Blvd., Atlanta, GA, USA
E-mail: sflanagan@ngimat.com

b Northrop Grumman Laser Systems, 2787 South Orange Blossom Trail, Apopka, FL, USA

c Metametrix Clinical Laboratory, 4855 Peachtree Industrial Blvd., Suite 201, Norcross, GA, USA

Abstract

The solubility of platinum(II) acetylacetonate (Pt(acac)2) in various solvent mixtures of acetone, cyclohexanol, propylene carbonate and 1,2,3,4-tetrahydronaphthalene (THN) have been determined at 25 °C and 1 atm, using thermogravimetric analysis (TGA) and inductively coupled plasma mass spectrometry (ICP-MS). The densities of the saturated solutions were determined by pycnometry. The entropy of fusion and melting point of Pt(acac)2 were determined by differential scanning calorimetry (DSC) to be 41.4 J mol−1 K−1 and 512.5 K, respectively. From this data, the ideal mole fraction at saturation (xideal) of Pt(acac)2 was calculated to be 0.0278, which is more than twice the highest reported solubility of that compound. In this effort, mixtures of acetone, propylene carbonate and THN exhibit cosolvency for Pt(acac)2, with the greatest measured molar solubility of Csat = 0.0675 mol L−1 occurring at the 1 ∶ 1 ∶ 1 v ∶ v ∶ v ratio of these three solvents. A new equation was developed for activity coefficients in solvent mixtures and used to predict ln γ for Pt(acac)2 to within 3.6% of the measured values. The concept of Intercomponent Mixture Parameters (IMPs) is introduced in relation to Scheffé mixture polynomials as applied to the prediction of activity coefficients in solvent mixtures.

Graphical abstract: A design-of-experiments approach to modeling activity coefficients in solvent mixtures: a case study using platinum(ii) acetylacetonate in mixtures of acetone, cyclohexanol, 1,2,3,4-tetrahydronaphthalene and propylene carbonate

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Article information

DOI
https://doi.org/10.1039/B418130A
Article type
Paper
Submitted
03 Dec 2004
Accepted
31 Mar 2005
First published
14 Apr 2005

Green Chem., 2005,7, 333-338

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A design-of-experiments approach to modeling activity coefficients in solvent mixtures: a case study using platinum(II) acetylacetonate in mixtures of acetone, cyclohexanol, 1,2,3,4-tetrahydronaphthalene and propylene carbonate

S. Flanagan, E. Hall, W. Bowie, J. W. Fuhs, R. Logan, F. Maniei and A. Hunt, Green Chem., 2005, 7, 333 DOI: 10.1039/B418130A

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