Quantemol-DB
Developed for people working with complex chemistries, the Quantemol Database (QDB) supports and compares multiple data sets to establish a trusted resource for plasma chemistry information. Chemistry reaction sets can be used in several different plasma modeling software packages.
We offer free trial of QDB, please fill out the form on the bottom of the page.
Quantemol Global Model
The Quantemol Global Model is a useful tool for calculating the reactor averaged particle densities and the electron temperature for a given set of process parameters in plasma. It is included as part of the Quantemol-DB package. The online global model is freely available to use, however, the desktop app is exclusive to those with a Quantemol-DB gold membership.
Join QDB to benefit from Quantemol Global Model software, which offers:
- A user-friendly and intuitive interface
- A flexible bespoke approach to chemistry selection:
- Linked to Quantemol-DB (Gold and Platinum Membership) via API
- Offers to generate a new chemistry set or download an already existing one
- Free to populate it with species of your preference
- Self-consistency checks for chemistry sets
- Options to include pulsed discharge and parameter variation
- Convenient plotting and results comparison
- Boltzmann-Solver as a stand-alone feature and in combination with the Global Model
- Analysis tools, e.g.
- extracting and plotting rates,
- chemistry set reduction,
- Automatic calibration of e.g. sticking coefficients to match experimental resultsComing soon features:
- Import and export of input files for HPEM, CHEMKIN, COMSOL etc.
- Surface Model as a stand-alone feature and in combination with the Global Model .
- Analysis: visualizing reaction pathways
Recommended operating systems are Linux (Ubuntu, RedHat, CentOS) and Windows
Our Memberships
Standard Membership
- Database search for reactions and species
- Flexible graphs for cross sections data
- Download up to 20 datasets/month
Gold Membership
- Database search for reactions and species (Download UNLIMITED datasets/month)
- Cross sections comparison in the graphical interface for the same species and (coming soon) for different species
- Access to pre-assembled and validated chemistry sets (42 sets available here)
- Flexible formats for downloads compatible with COMSOL, STAR CCM+, CHEMKIN, HPEM, VizGlow.
- You can download unlimited individual reactions, 20 complete chemistry sets and 20 dynamic chemistry sets a month. The allowance is renewed every month.
- A compiled list of references for the data you downloaded easy to add to your publication draft
- Plasma Expert Customer support helping to tailor our chemistry sets to your plasma model
- Help in assembling your own chemistry set
- Ability to leave feedback on the data and read feedback from the other users
- Access to an API for Q-VT software
- Access to
- surface chemistry dataBoltzmann solver on the cloud + data download
- Global Plasma Model available on the cloud including special features:
- User-defined surface sticking probabilities and return species
- Download of results including final densities, time-dependent densities, and a list of all reactions with the used rate
coefficients - Turn on pulsing between two power levels
- Store dynamic sets on the hard drive and restore them on the website instead of recreating them manually.
- Quantemol Global Model Software (Click here)
Platinum Membership
- Includes calculations of cross sections for up to 6 molecules/ions within the membership 1-year term. Your team can reach out to us at the time needed and request the data, without having to go through the rigmarole of approving funding every time.
- Cross sections included* in the deal are:
- Elastic cross-sections
- Electronic excitation cross-sections
- Super-elastic cross-sections
- Quenching cross-sections
- Electron impact dissociation
- Estimate dissociative electron attachment
- Momentum transfer cross-sections
- Electron impact ionisation at all energies
- Rotational excitation cross-sections
- Vibrational cross sections for diatomic molecules (N2, FO, CF etc)
- Estimate branching ratio for electron impact ionisation and dissociation
- Cross sections for a molecule with up to 25 atoms (preferably lighter then Ar)
- Larger than 25 atoms molecule cross sections for selected processes: •Dissociative Attachment •Elastic cross sections
•Electronic Excitation to the first excited state •Ionisation
- We will deliver the data as soon as possible with a comprehensive report about the calculations and in any format you require
All Gold membership benefits are included.
Quantemol-DB Global Model App Free Trial Request Form:
Please fill in the form below to request your free two-week trial. This trial will work on both Windows and Linux however it will not work on older operating systems. The free trial will only give access to one chemistry whereas the full version gives access to all chemistries (over 40 sets).