[Data] Evaluation of pore structure of porous materials using NLDFT method and GCMC method.

Evaluation of pore structure of porous materials with cylindrical pores using NLDFT and GCMC methods - Selection of suitable adsorbates and analysis methods?

So far, various methods for evaluating the pore structure of porous materials have been used based on the differences in pore structures. In the micro-pore region, methods such as the HK method, SF method, and CY method based on adsorption potential theory have been employed, while in the meso-macro pore region, classical pore distribution analysis methods such as the INNES method and BJH method based on capillary condensation theory have been used. On the other hand, in recent years, there has been growing attention on new pore distribution analysis methods such as NLDFT and GCMC, which allow for analysis based on a unified theory from micro-pores to meso-macro pores through computer simulations. This document examines which theory, NLDFT or GCMC, is more suitable for pore distribution analysis. Additionally, while the adsorbate proposed by IUPAC 2015 is Ar adsorption, it also investigates the usefulness of N2 adsorption. Specifically, it analyzes the N2 and Ar actual adsorption isotherms of mesoporous silica MCM41, MFI, and MTW zeolites. *For more details, please refer to the PDF document or feel free to contact us.*

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