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Quantemol-DB: All Chemistries

Chemistries available in QDB (32).

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 conditions variation. For example, validation for different pressure regimes or gas flow in the gas mixture. Your contribution of the validation data is welcome.
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, 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 156
C4 Ar/H$_2$ chemistry 63
C5 O$_2$/H$_2$ chemistry 155
C6 SF$_6$/O$_2$ chemistry 194
C7 CF$_4$/O$_2$ chemistry 207
C8 SF$_6$ chemistry 61
C9 CF$_4$ chemistry 81
C10 CF$_4$/O$_2$/H$_2$/N$_2$ chemistry 409
C11 C$_4$F$_8$ chemistry 193
C13 SiH$_4$ chemistry 49
C14 SiH$_4$/NH$_3$ chemistry 73
C15 Ar/O$_2$ chemistry 59
C16 Ar/O$_2$/C$_4$F$_8$ chemistry 412
C17 SiH$_4$/Ar/O$_2$ chemistry 207
C18 Ar/Cu chemistry 26
C19 Cl$_2$/O$_2$/Ar chemistry 70
C20 Ar/BCl$_3$/Cl$_2$ chemistry 55
C21 Ar/NH$_3$ chemistry 238
C22 CH$_4$/H$_2$ chemistry 187
C23 C$_2$H$_2$/H$_2$ chemistry 81
C24 CH$_4$/NH$_3$ chemistry 286
C25 C$_2$H$_2$/NH$_3$ chemistry 180
C26 He/O$_2$ chemistry 128
C27 CF$_4$/CHF$_3$/H$_2$/Cl$_2$/O$_2$/HBr chemistry 562
C28 CH$_4$/N$_2$ chemistry 590
C29 SF$_6$ / CF$_4$/ O$_2$ chemistry 334
C30 Ar/Cu/He chemistry 20
C31 Ar/NF$_3$ chemistry 104
C32 SF$_6$/CF$_4$/N$_2$/H$_2$ chemistry 192
C33 Ar/NF$_3$/O$_2$ chemistry 409
C35 C2F6 / SiO2(s) plasma etch 0
C36 CF4 / SiO2(s) 66