Theoretical Evaluation of Stability of Volatile Organic Chemicals and PolarVolatile Organic Chemicals in Canisters

摘要

A mathematical model was developed for describing loss by physical adsorption ofvolatile organic chemicals (VOCs) and polar volatile organic chemicals (PVOCs) in stainless steel canisters. The model incorporates compound specific properties such as polarizability, vapor concentration, temperature, and equilibrium vapor pressure. Experimental results show that the model correctly predicts the loss of VOCs in canisters from very dry samples. A listing which documents the software program that implements the model is included in the report. With the program, a user can predict the stability of VOCs and PVOCs in multicomponent mixtures including water vapor under user-specified conditions of temperature and pressure. Physicochemical data needed for the model are provided for more than sixty compounds.