组分定义 SI2CL6在ASEPEN中怎么找

anqidetiankong · 发表于 1970-1-1 08:00:00

组分定义 SI2CL6在ASEPEN中怎么找我要在ASPEN中定义六氯二硅烷组分在数据库中找不着怎么办？

wxch99219 · 发表于 1970-1-1 08:00:00

本帖最后由 wxch99219 于 2012-10-18 19:07 编辑

用USER DEFINED自定义就可以：

Atom 1             Atom 2
Number       Type       Number       Type       Bond type
1       Cl       4       Si       Single bond
2       Cl       4       Si       Single bond
3       Cl       4       Si       Single bond
4       Si       5       Si       Single bond
6       Cl       5       Si       Single bond
7       Cl       5       Si       Single bond
8       Cl       5       Si       Single bond


Components       SI2CL6
Temperature units       C
Property units       kcal/mol
1       11.2025031
2       25
3       0.38
4       0
5       25
6
7
8
9
10
11
12

Components       SI2CL6
Temperature units       C
Property units       kcal/mol
1       11.2025031
2       25
3       0.38
4       0
5       25
6
7
8
9
10
11
12

Parameters       Units       Data set       Component       Component
                     SI2CL6
MW             1       268.8872
PC       bar       1       26.673082
VC       cum/kmol       1       0.515754
DHFORM       kcal/mol       1       -235.5975924
DGFORM       kcal/mol       1       -185.2515597
DHVLB       kcal/mol       1       11.17636307
VLSTD       cum/kmol       1       0