- Theoretical Studies on Aluminophosphate-5 (AlPO$_4$ - 5)
- ㆍ 저자명
- Choi. Kyung-Jae,Jhon. Mu-Shik,No. Kyeong-Tae
- ㆍ 간행물명
- Bulletin of the Korean Chemical Society
- ㆍ 권/호정보
- 1987년|8권 3호|pp.155-157 (3 pages)
- ㆍ 발행정보
- 대한화학회
- ㆍ 파일정보
- 정기간행물| PDF텍스트
- ㆍ 주제분야
- 기타
Parameters of intraframework potential function suitable for aluminophosphate-5($AIPO_4-5$) are obtained by the constraint method. Using these parameters, we calculated the stabilization energies and their second derivatives of framework atoms and these values are compared with those of zeolite A. It is found that the oxygen atoms in $AIPO_4-5$ framework are more stable than those of zeolite A and that the aluminum atom is also more stable than that of zeolite A. On the other hand, the phosphorus atom in $AIPO_4-5$ framework, in which the silicon atoms of aluminosilicate are replaced by the phosphorus atom, is less stable than the silicon atom of aluminosilicate framework of dehydrated zeolite A.