Evaluation of Pore Structure by No. 21 NLDFT Method and GCMC Method
What are the optimal analysis methods and adsorbates for understanding the pore structure of porous materials? Various materials will be introduced as examples.
The NLDFT method assumes pore shape (pore diameter) and determines parameters at the adsorption temperature and pressure, using an approximate formula based on density functional theory for the adsorption density within the pores. The GCMC method calculates the adsorption density through computer simulations that model the adsorption phenomenon after determining the parameters. This document examines which theory, NLDFT or GCMC, is more suitable for pore distribution analysis, and how useful N2 adsorption is. We encourage you to read it. 【Contents (partial)】 ■ Figure 1 Local isotherms for 4nm and 10nm using NLDFT and GCMC (adsorption branch Ar@87.3 K) ■ Figure 2 Adsorption isotherms for MCM41 (N2@77.4 K, Ar@87.3 K) ■ Figure 3 Pore distribution (pore volume) for MCM41 (N2@77.4 K, Ar@87.3 K) ■ Figure 4 Adsorption isotherms for MFI1000H (N2@77.4 K, Ar@87.3 K) ■ Figure 5 Pore distribution (pore volume) for MFI1000H (N2@77.4 K, Ar@87.3 K) *For more details, please refer to the PDF document or feel free to contact us.
- Company：マイクロトラック・ベル
- Price：Other
