Solubilization of hexachlorobutadiene (HCBD) and hexachloroethane (HCA) was investigated in water as a function of temperature and in the presence of surfactants in order to predict their fate in groundwater and to increase their recovery. HCBD and HCA solubility data were experimentally determined at five temperatures in the range from (285.15 to 318.15) K. Thermodynamic parameters for dissolution (Delta_solGdeg , Delta_solHdeg and Delta_solSdeg ) have been calculated in order to propose a physical explanation of the minimum solubility observed between 293.15 and 298.15 K for both compounds. The solubilization process appeared to be influenced by the network of water molecules rather than by physical and chemical properties of HCBD or HCA, due to an opposite effect of temperature onto Brownian motion, which increases with temperature, and hydrogen-bond network, which collapses with temperature. Concerning the influence of surfactants, determination of micelle-water partition coefficients (Kmw) and molar solubilization ratio (MSR) has shown that the solubilization per micelle was more important for nonionic surfactants Triton X-100 and Tween 80 than for anionic SDBS. Also, the increase of solubility was one order of magnitude higher for liquid HCBD than for crystalline HCA irrespective of surfactant.
Compounds
#
Formula
Name
1
C4Cl6
1,1,2,3,4,4-hexachloro-1,3-butadiene
2
C2Cl6
hexachloroethane
3
H2O
water
Datasets
The table above is generated from the ThermoML associated json file (link above).
POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied;
the numbers refer to the table of compounds on the left.