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Quantemol-DB: All Chemistries

Chemistries available in QDB (37).

Chemistry sets in this section are self-consistent and their self-consistency is established using plasma modelling software.

The star ranking is reflecting the level of validation available for this chemistry set. It is based on four approaches:

  1. There is experimental benchmarking from open sources (where available) and also directly provided by Quantemol's industrial partners (collaborating on the Powerbase project) and database contributors.
  2. Calculations are performed for a range of models thereby reflecting the underlying quality of input data (example models used for validation include HPEM, Global_KIN, ChemKin).
  3. The models used to produce the data are validated on a case by case basis.
  4. Numerical uncertainties are quantified with thresholds set for validation where possible.

More details about validation can be found here

RatingDescription of comparison conditions
The chemistry is self-consistent but simulation results show different behaviour than the available experimental measurements.
The chemistry is self-consistent but has not yet been compared with experimental or theoretical data, contribution of the data for comparison is welcome.
The chemistry is self-consistent and compares well with measurements for the same process conditions: Power, Gas flow, Pressure. Your contribution of the validation data is welcome.
The chemistry is self-consistent and compares well with measurements for process condition variations. For example, validation for different pressure regimes or gas flow in the gas mixture. The chemistry is self-consistent and validated by comparison of results using more than one software model. For example, it was used in Q-P, ChemKin and Q-VT, and showed the same trends with parameter variation. Your contribution of the validation data is welcome.
The chemistry is self-consistent, has been validated by comparison of results using more than one software model, and reproduces the experimental data. For example, it was used in Q-P, ChemKin and Q-VT, showed the same trends with parameter variation and compared well with the experimental data. Your contribution of the validation data is welcome.
Rating ID Mixture Reactions
C3 N$_2$/H$_2$ chemistry 196
C4 Ar/H$_2$ chemistry 96
C5 O$_2$/H$_2$ chemistry 141
C6 SF$_6$/O$_2$ chemistry 190
C7 CF$_4$/O$_2$ chemistry 221
C8 SF$_6$ chemistry 84
C9 CF$_4$ chemistry 110
C10 CF$_4$/O$_2$/H$_2$/N$_2$ chemistry 396
C11 C$_4$F$_8$ chemistry 197
C13 SiH$_4$ chemistry 78
C14 SiH$_4$/NH$_3$ chemistry 99
C15 Ar/O$_2$ chemistry 69
C16 Ar/O$_2$/C$_4$F$_8$ chemistry 414
C17 SiH$_4$/Ar/O$_2$ chemistry 218
C18 Ar/Cu chemistry 43
C19 Cl$_2$/O$_2$/Ar chemistry 75
C20 Ar/BCl$_3$/Cl$_2$ chemistry 68
C21 Ar/NH$_3$ chemistry 199
C22 CH$_4$/H$_2$ chemistry 197
C23 C$_2$H$_2$/H$_2$ chemistry 83
C24 CH$_4$/NH$_3$ chemistry 291
C25 C$_2$H$_2$/NH$_3$ chemistry 187
C26 He/O$_2$ chemistry 89
C27 CF$_4$/CHF$_3$/H$_2$/Cl$_2$/O$_2$/HBr chemistry 658
C28 CH$_4$/N$_2$ chemistry 562
C29 SF$_6$ / CF$_4$/ O$_2$ chemistry 378
C30 Ar/Cu/He chemistry 25
C31 Ar/NF$_3$ chemistry 149
C32 SF$_6$/CF$_4$/N$_2$/H$_2$ chemistry 278
C33 Ar/NF$_3$/O$_2$ chemistry 337
C35 C$_2$F$_6$ / SiO$_2$(s) plasma etch 9
C36 CF$_4$ / SiO$_2$(s) 66
C37 He chemistry 23
C38 O2 chemistry 57
C39 Ar chemistry 30
C40 N2 chemistry 33
C41 H2 chemistry 42