title: Global statistical predictor model for characteristic adsorption energy of organic vapors-solid interaction: use in dynamic process simulation.
abstract: Adsorption of Volatile Organic Compounds (VOCs) is one of the best remediation techniques for controlling industrial air pollution. In this paper, a quantitative predictor model for the characteristic adsorption energy (E) of the Dubinin-Radushkevich (DR) isotherm model has been established with R(2) value of 0.94. A predictor model for characteristic adsorption energy (E) has been established by using Multiple Linear Regression (MLR) analysis in a statistical package MINITAB. The experimental value of characteristic adsorption energy was computed by modeling the isotherm equilibrium data (which contain 120 isotherms involving five VOCs and eight activated carbons at 293, 313, 333, and 353 K) with the Gauss-Newton method in a statistical package R-STAT. The MLR model has been validated with the experimental equilibrium isotherm data points, and it will be implemented in the dynamic adsorption simulation model PROSIM. By implementing this model, it predicts an enormous range of 1200 isotherm equilibrium coefficients of DR model at different temperatures such as 293, 313, 333, and 353K (each isotherm has 10 equilibrium points by changing the concentration) just by a simple MLR characteristic energy model without any experiments.
authors.affiliation: Ecole des Mines de Nantes, GEPEA, UMR-CNRS 6144, 4 rue Alfred Kastler, BP20722, 44307 Nantes Cedex 03, France. shivaji.ramalingam@yahoo.co.in
authors.forename: Shivaji G
authors.initials: SG
authors.lastname: Ramalingam
authors.forename: Lomig
authors.initials: L
authors.lastname: Hamon
authors.forename: Pascaline
authors.initials: P
authors.lastname: Pré
authors.forename: Sylvain
authors.initials: S
authors.lastname: Giraudet
authors.forename: Laurence
authors.initials: L
authors.lastname: Le Coq
authors.forename: Pierre
authors.initials: P
authors.lastname: Le Cloirec
mesh_terms: D000327:Adsorption; D008956:Models, Chemical; D056004:Molecular Dynamics Simulation; D013816:Thermodynamics; D055549:Volatile Organic Compounds / Q000737:chemistry*
chemical_list: D055549:Volatile Organic Compounds