title: Thermodynamics of phenanthrene partition into solid organic matter from water.
abstract: The thermodynamic behavior of organic contaminants in soils is essential to develop remediation technologies and assess risk from alternative technologies. Thermodynamics of phenanthrene partition into four solids(three soils and a bentonite) from water were investigated. The thermodynamics parameters (deltaH, deltaG degrees, deltaS degrees) were calculated according to experimental data. The total sorption heats of phenanthrene to solids from water ranged from -7.93 to -17.1 kJ/mol, which were less exothermic than the condensation heat of phenanthrene-solid (i.e., -18.6 kJ/mol). The partition heats of phenanthrene dissolved into solid organic matter ranged from 23.1 to 32.2 kJ/mol, which were less endothermic than the aqueous dissolved heat of phenanthrene (i.e., 40.2 kJ/mol), and were more endothermic than the fusion heat of phenanthrene-solid (i.e., 18.6 kJ/mol). The standard free energy changes, deltaG degrees, are all negative which suggested that phenanthrene sorption into solid was a spontaneous process. The positive values of standard entropy changes, deltaS degrees, show a gain in entropy for the transfer of phenanthrene at the stated standard state. Due to solubility-enhancement of phenanthrene, the partition coefficients normalized by organic carbon contents decrease with increasing system temperature (i.e., ln Koc = -0.284 ln S + 9.82 (n = 4, r2 = 0.992)). The solubility of phenanthrene in solid organic matter increased with increasing temperatures. Transports of phenanthrene in different latitude locations and seasons would be predicted according to its sorption thermodynamics behavior.
authors.affiliation: Department of Environmental Sciences, Zhejiang University, Hangzhou 310028, China.
authors.forename: Bao-liang
authors.initials: BL
authors.lastname: Chen
authors.forename: Li-zhong
authors.initials: LZ
authors.lastname: Zhu
authors.forename: Shu
authors.initials: S
authors.lastname: Tao
mesh_terms: D000327:Adsorption; D010616:Phenanthrenes / Q000737:chemistry*; D012987:Soil / Q000032:analysis*; D012989:Soil Pollutants / Q000032:analysis*; D012995:Solubility; D013056:Spectrophotometry, Ultraviolet; D013696:Temperature; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
chemical_list: D010616:Phenanthrenes; D012987:Soil; D012989:Soil Pollutants; D014867:Water; C031181:phenanthrene