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The quantemol team is working on developing an algorithm which automates chemistry reduction including your process conditions specifics and prioritised species. We already have an in-house version and offering consultancy services on assembling chemistry sets and optimising it from hundreds to dozens of reactions. This will significantly reduce your calculation times for 2D and 3D models without losing the essence of the processes you are trying to model.
See our recent publication Reduced chemistries with the Quantemol database (QDB) available online from Plasma Science and Technology, Volume 21, Number 6 (2019).
Contact us on sales@quantemol.com to learn more.
The algorithm will be available as a cloud version on QDB soon. Sign up for our newsletter to stay connected (the email frequency is less than 1 in 2 months).
Deteriorating climate conditions are resulting from the increase of CO2 and CH4 in the atmosphere, creating a greenhouse effect and heating up the planet.
Out of the past 22 years, 20 of them have been the warmest years on record according the World Meteorological Organisation. Weather changes are leading to the mass extinction of many species, and even humans might be on the list if we do not act quickly.
The Committee on Climate Change (CCC), the official adviser to UK government and devolved administrations in Scotland and Wales, published a 277-page advice document recommending 0 emissions of CO2 by 2050. Controversially, the extinction rebellion activists demanded governments to act precipitately to reduce emission to 0 by 2025.
The UN Intergovernmental Panel on Climate Change (IPCC) asserted that we have only 12 years to make a difference and prevent the increase of the atmosphere by 2Co or more degrees in comparison to pre-industrial times.
Every business should evaluate its impact on the climate change challenge. Quantemol’s mission is to reduce experimental testing, and by designing virtually reduce waste.
Quantemol is further committing to supporting research to deploy plasmas to combat pollution and develop clean energy technologies. These include gas abatement, recycling and clean energy as follows
Gas abatement
Recycling
Clean energy
Plasma fusion - move to clean energy
Plasma in the manufacturing of solar panels to provide clean energy
Ecological alternatives
The challenge is to develop new and better technologies. The Quantemol team is committed to progress research addressing climate change.
Please contact us at info@quantemol.com to discuss collaboration.
Our team is working on making work with chemistry data easier that it has always been! Modelling plasma systems in complex gas environment usually means dealing with reaction schemes containing tens of species and up to a thousand of reactions. Incorporating such complex chemical schemes is usually impossible task for spatially resolved (2D and 3D) plasma models due to the high computational cost. Many fluid solvers will struggle with over 50 reactions even in 2D. The Quantemol Plasma Chemistry Generator (QPCG) is the tool we are working on at the moment and it will help to build up reaction kinetics schemes for plasma modelling applications and reduce to account for only selected species of interest. Read here is our recent publication discussing this topic: https://doi.org/10.1088/2058-6272/ab00a1
The Quantemol team is wishing you prosperity and joy in the next year and cheerful festive season surrounded by your family and friends! Quantemol had a successful year where we had a chance to see many of you at various industry events. We held two workshops which gave us a lot of ideas on how to develop our products further and serve your interests better! This year updates:
1) QVT now has object-oriented meshing functionality, celebrated by our customers. To learn more about it see this video: https://www.youtube.com/watch?v=382Rz4NkfK0
2) QDB now offers data also in a format compatible with popular plasma modelling software: HPEM, CHEMKIN, COMSOL, CFD-ACE+, VizGlow, this list is growing. Another addition to the functionality is our Dynamic Chemistry application, where now you can assemble new chemistry sets within a matter of minutes. Check it out now (you have to be logged in to get access to this link): https://www.quantemoldb.com/chemistries/dynamic-chemistry/
3) We are working on the next generation to Quantemol-N software, Quantemol-Electron Collisions (QEC), which is based on modern R-Matrix and Molpro codes. It will provide you with a powerful tool automatically generating most of the input file set up and more precise calculations as a result. Future versions of QEC are featuring dissociative recombination estimation, effective core potential calculations and vibrational excitations for ions and neutrals. Planned Beta-release time is April 2019
4)Further good development news is that we are working on a method to calculate heavy particle collisions for neutrals (A+B - > C+D). We will provide a software interface that you can use for calculations. In the meantime, get in touch with us if you need some heavy particle collision calculations to be done by our experts: sales@quantemol.com
Look forward to working with you next year!! The Quantemol team wishes you prosperity and joy in the next year and a cheerful festive season surrounded by your family and friends!
Quantemol had a successful year where we were delighted to see many of you at various industry events. We held two workshops which gave us many ideas on how to develop our products further and serve your interests better!
Look forward to working with you next year!
QDB now supports VizGlow, ChemKIn and COMSOL formats in chemistry downloads. Request a silver membership (download test) on sales@quantemol.com to try them out for free.
For older news, visit the News Archive