Thông tin chung

  English

  Đề tài NC khoa học
  Bài báo, báo cáo khoa học
  Hướng dẫn Sau đại học
  Sách và giáo trình
  Các học phần và môn giảng dạy
  Giải thưởng khoa học, Phát minh, sáng chế
  Khen thưởng
  Thông tin khác

  Tài liệu tham khảo

  Hiệu chỉnh

 
Số người truy cập: 106,030,876

 Adsorption in 3D and 2D Zeolites: Theoretical Investigation
marriage affairs open i want an affair
Tác giả hoặc Nhóm tác giả: Ho Viet Thang, Miroslav Položij, Petr Nachtigall, Ota Bludský, Michal Trachta, Jan Hermann
walgreens pharmacy coupon site promo codes walgreens
Nơi đăng: 45th Symposium on Catalysis, Prague, Czech Republic
abortion stories gone wrong how to abort at home teenage abortion facts
; Số: 45;Từ->đến trang: 24;Năm: 2013
Lĩnh vực: Khoa học; Loại: Báo cáo; Thể loại: Quốc tế
TÓM TẮT
Zeolites are traditionally viewed as 3D microporous crystalline aluminosilicates obtained by solvo-thermal synthesis. It is now well understood that the 2D layered zeolite precursor (LZP) can be obtained for some zeolites or 2D layered zeolites can even be obtained from 3D zeolite by hydrolysis.2 2D zeolites can be further manipulated in a variety of ways providing a type of hierarchical material showing greatly reduced diffusion limitations. It is therefore interesting to compare the adsorption properties of traditional 3D and 2D zeolites. Surface properties of layered, purely siliceous zeolite frameworks, or 2D zeolites, derived from zeolites UTL and ITH are probed by interaction with several small molecules (CH4, CO2, H2O, H2, N2) and the results are compared with the corresponding investigation of siliceous 3D zeolites. The coordination and localization of extra-framework Li+ cation charge-compensating framework Al atoms in 2D and 3D UTL is also investigated and the differences in Li+ coordination in 2D and 3D UTL are probed by CO adsorption. The CO vibrational dynamics is investigated using a ω/r correlation method3 and the interaction between adsorbate and adsorbent is described by non-local exchange correlation functional corrected by the revised DFT/CC correction scheme.
ABSTRACT
Zeolites are traditionally viewed as 3D microporous crystalline aluminosilicates obtained by solvo-thermal synthesis. It is now well understood that the 2D layered zeolite precursor (LZP) can be obtained for some zeolites or 2D layered zeolites can even be obtained from 3D zeolite by hydrolysis.2 2D zeolites can be further manipulated in a variety of ways providing a type of hierarchical material showing greatly reduced diffusion limitations. It is therefore interesting to compare the adsorption properties of traditional 3D and 2D zeolites. Surface properties of layered, purely siliceous zeolite frameworks, or 2D zeolites, derived from zeolites UTL and ITH are probed by interaction with several small molecules (CH4, CO2, H2O, H2, N2) and the results are compared with the corresponding investigation of siliceous 3D zeolites. The coordination and localization of extra-framework Li+ cation charge-compensating framework Al atoms in 2D and 3D UTL is also investigated and the differences in Li+ coordination in 2D and 3D UTL are probed by CO adsorption. The CO vibrational dynamics is investigated using a ω/r correlation method3 and the interaction between adsorbate and adsorbent is described by non-local exchange correlation functional corrected by the revised DFT/CC correction scheme.
© Đại học Đà Nẵng
 
 
Địa chỉ: 41 Lê Duẩn Thành phố Đà Nẵng
Điện thoại: (84) 0236 3822 041 ; Email: dhdn@ac.udn.vn