title: Solubility of C60 in solvent mixtures.
abstract: The potential large-scale production of fullerene C60 and its widespread use in consumer products may translate into occupational and public exposure and in long-term environmental exposure. To assess the risk and fate of C60 in the environment, it is important to understand its solvate formation in common industrial solvents as the solvates may affect various properties of C60 including reactivity and toxicity, particularly when solvates occur in C60 clusters. In this study, the solubility measurements in mixed solvent system can provide useful information about solvate formation. The solubility of C60 was measured in pure toluene, tetrahydrofuran, ethanol, and acetonitrile to be 3000, 11, 1.4, and 0.04 mg/L, respectively. Additionally, the solubility of C60 was measured in mixtures of toluene-acetonitrile, toluene-ethanol, toluene-tetrahydrofuran, and acetonitrile-tetrahydrofuran. The solubility data were modeled with some accuracy using Wohl's equation. The estimated crystal energy term for C60 in tetrahydrofuran was different than that in the other solvents, indicating that the C60 solid phase in equilibrium with tetrahydrofuran solution may be a solvated crystal.
authors.affiliation: Purdue University, School of Civil Engineering, West Lafayette, Indiana 47907, USA.
authors.forename: Pradnya P
authors.initials: PP
authors.lastname: Kulkarni
authors.forename: Chad T
authors.initials: CT
authors.lastname: Jafvert
mesh_terms: D000097:Acetonitriles / Q000737:chemistry; D002246:Carbon Disulfide / Q000737:chemistry; D000431:Ethanol / Q000737:chemistry; D037741:Fullerenes / Q000737:chemistry*; D005663:Furans / Q000737:chemistry; D010316:Particle Size; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry; D012995:Solubility; D012997:Solvents / Q000737:chemistry*; D013696:Temperature; D013816:Thermodynamics; D014050:Toluene / Q000737:chemistry; D014992:Xylenes / Q000737:chemistry
chemical_list: D000097:Acetonitriles; D037741:Fullerenes; D005663:Furans; D011084:Polycyclic Aromatic Hydrocarbons; D012997:Solvents; D014992:Xylenes; D014050:Toluene; D000431:Ethanol; C018674:tetrahydrofuran; C069837:fullerene C60; D002246:Carbon Disulfide; C032159:acetonitrile