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Adsorption of halocarbons in nanoporous materials: current status and future challenges

Elsevier Science & Technology
DOI: 10.1016/s0167-2991(00)80276-1
  • Physics


Publisher Summary In view of the growing interest in the field, this chapter discusses the developing reliable computer-simulations procedures that can be used to complement and enhance the analysis of experimental data, such as thermodynamic, spectroscopic and structural measurements. In the context of chlorocarbons, for example, the main vehicles for study have been chloroform, trichloroethylene, and tetrachloroethylene, these molecules being the most abundant in ground water and aquifer contamination. The chapter focuses primarily on halocarbons in faujasite (FAU) systems, a choice based upon (i) the availability of FAUs in a variety of Si/Al ratios and cation forms, (ii) their large apertures (∼7.5 Å) and sorption capacities, and (iii) their commercial availability at modest cost.

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