Carbon Fiber Adsorption Using Quantitative Structure-Activity Relationship

Adsorption capacities of adsorbents are necessary for selecting and designing adsorption systems for separation and removal processes, such as air quality control devices, because they are indicators of service life. This paper describes the use of the DubininRadushkevich (DR) equation and the quantitative structure-activated relationship to predict the equilibrium adsorption of select organic vapor by activated carbon fiber (ACF) adsorbents. The DR isotherm parameter, k, depends on the adsorbate as well as the adsorbent, and the prediction for k can be obtained indirectly from the affinity coefficient. A correlation is developed to compute the affinity coefficient from the modified, first-order, valence molecular connectivity index. This method provides an improved way to predict equilibrium adsorption capacities for select volatile organic compound adsorbates and activated carbon fiber adsorbents.