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Quantemol-DB: All Chemistries

Chemistries available in QDB (40).

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 138
C4 Ar/H$_2$ chemistry 64
C5 O$_2$/H$_2$ chemistry 115
C6 SF$_6$/O$_2$ chemistry 147
C7 CF$_4$/O$_2$ chemistry 169
C8 SF$_6$ chemistry 57
C9 CF$_4$ chemistry 79
C10 CF$_4$/O$_2$/H$_2$/N$_2$ chemistry 299
C11 C$_4$F$_8$ chemistry 143
C13 SiH$_4$ chemistry 62
C14 SiH$_4$/NH$_3$ chemistry 80
C15 Ar/O$_2$ chemistry 51
C16 Ar/O$_2$/C$_4$F$_8$ chemistry 342
C17 SiH$_4$/Ar/O$_2$ chemistry 178
C18 Ar/Cu chemistry 26
C19 Cl$_2$/O$_2$/Ar chemistry 65
C20 Ar/BCl$_3$/Cl$_2$ chemistry 59
C21 Ar/NH$_3$ chemistry 157
C22 CH$_4$/H$_2$ chemistry 179
C23 C$_2$H$_2$/H$_2$ chemistry 79
C24 CH$_4$/NH$_3$ chemistry 262
C25 C$_2$H$_2$/NH$_3$ chemistry 168
C26 He/O$_2$ chemistry 81
C27 CF$_4$/CHF$_3$/H$_2$/Cl$_2$/O$_2$/HBr chemistry 563
C28 CH$_4$/N$_2$ chemistry 536
C29 SF$_6$ / CF$_4$/ O$_2$ chemistry 293
C30 Ar/Cu/He chemistry 21
C31 Ar/NF$_3$ chemistry 92
C32 SF$_6$/CF$_4$/N$_2$/H$_2$ chemistry 187
C33 Ar/NF$_3$/O$_2$ chemistry 310
C35 C$_2$F$_6$ / SiO$_2$(s) plasma etch 9
C36 CF$_4$ / SiO$_2$(s) 66
C37 He chemistry 16
C38 O$_2$ chemistry 50
C39 Ar chemistry 18
C40 N$_2$ chemistry 27
C41 H$_2$ chemistry 27
C42 Reduced CF$_4$/O$_2$/N$_2$/H$_2$ Chemistry (1 - 30 mTorr) 83
C43 Reduced Pure O$_2$ Chemistry (600 Torr) 25
C44 Reduced BCl$_3$\Cl$_2$\Ar Chemistry (1 - 10 mTorr) 54