Henry's Constants of Persistent Organic Pollutants By a Group-Contribution Method Based on Scaled-Particle Theory
AIChE Annual Meeting
2017
2017 Annual Meeting
Student Poster Sessions
Undergraduate Student Poster Session: Environmental
Monday, October 30, 2017 - 10:00am to 12:30pm
A group-contribution method based on scaled-particle theory was developed to predict Henryâs constants for six families of persistent organic pollutants: polychlorinated benzenes, polychlorinated biphenyls, polychlorinated dibenzodioxins, polychlorinated dibenzofurans, polychlorinated naphthalenes, and polybrominated diphenyl ethers. The group-contribution model uses limited experimental data to obtain group-interaction parameters for an easy-to-use method to predict Henryâs constants for systems where reliable experimental data are scarce. By using group-interaction parameters obtained from data reduction, scaled-particle theory gives the partial molar Gibbs energy of dissolution, allowing calculation of Henryâs constant, H2, for more than 700 organic pollutants. The average deviation between predicted values of log H2 and experiment is 4%. Application of an approximate vanât Hoff equation gives the temperature dependence of Henryâs constants for polychlorinated biphenyls, polychlorinated naphthalenes, and polybrominated diphenyl ethers in the environmentally-relevant range 0 to 40oC.