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Quantemol-DB: All Chemistries

Chemistries available in QDB (39).

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 135
C4 Ar/H$_2$ chemistry 64
C5 O$_2$/H$_2$ chemistry 107
C6 SF$_6$/O$_2$ chemistry 142
C7 CF$_4$/O$_2$ chemistry 163
C8 SF$_6$ chemistry 60
C9 CF$_4$ chemistry 81
C10 CF$_4$/O$_2$/H$_2$/N$_2$ chemistry 296
C11 C$_4$F$_8$ chemistry 146
C13 SiH$_4$ chemistry 59
C14 SiH$_4$/NH$_3$ chemistry 77
C15 Ar/O$_2$ chemistry 49
C16 Ar/O$_2$/C$_4$F$_8$ chemistry 414
C17 SiH$_4$/Ar/O$_2$ chemistry 175
C18 Ar/Cu chemistry 43
C19 Cl$_2$/O$_2$/Ar chemistry 55
C20 Ar/BCl$_3$/Cl$_2$ chemistry 46
C21 Ar/NH$_3$ chemistry 156
C22 CH$_4$/H$_2$ chemistry 182
C23 C$_2$H$_2$/H$_2$ chemistry 79
C24 CH$_4$/NH$_3$ chemistry 259
C25 C$_2$H$_2$/NH$_3$ chemistry 165
C26 He/O$_2$ chemistry 75
C27 CF$_4$/CHF$_3$/H$_2$/Cl$_2$/O$_2$/HBr chemistry 557
C28 CH$_4$/N$_2$ chemistry 531
C29 SF$_6$ / CF$_4$/ O$_2$ chemistry 289
C30 Ar/Cu/He chemistry 25
C31 Ar/NF$_3$ chemistry 106
C32 SF$_6$/CF$_4$/N$_2$/H$_2$ chemistry 192
C33 Ar/NF$_3$/O$_2$ chemistry 315
C35 C$_2$F$_6$ / SiO$_2$(s) plasma etch 9
C36 CF$_4$ / SiO$_2$(s) 66
C37 He chemistry 16
C38 O2 chemistry 44
C39 Ar chemistry 18
C40 N2 chemistry 24
C41 H2 chemistry 27
C42 Reduced CF4/O2/N2/H2 Chemistry (1 - 30 mTorr) 85
C43 Reduced Pure $\mathrm{O_2}$ Chemistry (1000 mTorr) 18