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本帖最后由 wxch99219 于 2021-2-22 10:24 编辑
Parameters | Units | Data set | Component | Component | Component | Component | Component | | | | NH3 | H2O | NH4VO-01 | DIVAN-01 | | API | | 1 | 340 | 10 | | | | CHARGE | | 1 | 0 | | 0 | | | DGFORM | kcal/mol | 1 | -3.91707 | -54.5978 | 0 | | | DGSFRM | kcal/mol | 1 | | -56.5492 | -212.119 | | | DHAQFM | kcal/mol | 1 | -19.1769 | | | | | DHFORM | kcal/mol | 1 | -10.9625 | -57.7563 | | | | DHSFRM | kcal/mol | 1 | | -69.9627 | -251.529 | 0 | | DHVLB | kcal/mol | 1 | 5.571893 | 9.747874 | | | | FREEZEPT | C | 1 | -77.74 | 0 | | | | HCOM | kcal/mol | 1 | -75.6735 | | | | | MUP | debye | 1 | 1.468985 | 1.849724 | | | | MW | | 1 | 17.03056 | 18.01528 | 116.9782 | 181.88 | | OMEGA | | 1 | 0.252608 | 0.344861 | | | | PC | bar | 1 | 112.8 | 220.64 | | | | RKTZRA | | 1 | 0.24669 | 0.243172 | | | | S025E | cal/mol-K | 1 | 69.70108 | | | | | SG | | 1 | 0.3 | 1 | | | | TB | C | 1 | -33.43 | 100 | | | | TC | C | 1 | 132.5 | 373.946 | | | | VB | cum/kmol | 1 | 0.02498 | 0.018831 | | | | VC | cum/kmol | 1 | 0.07247 | 0.055947 | | | | VLSTD | cum/kmol | 1 | 0.053558 | 0.01805 | | | | ZC | | 1 | 0.242 | 0.229 | | | |
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