Heteroatom-Substituted Microporous AFI and ATS Structured Materials for Hydrocarbon Trap:  An Insight into the Aluminophosphate Framework−Toluene Interaction

Abstract

We report the synthesis of different heteroatom-substituted aluminophosphates with AFI and ATS topology and their ability to store toluene in wet and dry conditions. By mixing Zeolite A with the material to be tested, it was possible to obtain identical results in both wet and dry conditions. Molecular dynamics simulations coupled with high-resolution X-ray powder diffraction studies allowed us to obtain detailed information on the toluene−framework interactions.