Tokamak Energy had a contract with Quantemol Ltd on modelling atomic and molecular processes at the plasma edge. In these regions, plasma is weakly ionized, and the temperature is relatively low, so molecular effects should be considered. Quantemol Ltd is well-known in the Fusion area as experts in molecular plasma. They have constructed a list of important reactions and built a database of the cross sections and rates complemented with numerical tools for easy incorporation of the database in codes for tokamak plasma modelling. An important novelty was the analysis of bi-Maxwellian EEDFs as single-Maxwellian distributions cannot adequately describe the system and only occasionally lead to correct reaction rate coefficient estimation. Therefore, for accurate conclusions and modelling, researchers should always use bi-Maxwellian EEDF.
As a possible continuation of this project, it is aimed to use the developed library and routines to compute energy losses. We also plan to include surface reactions and analyse the effect of different reaction materials on the plasma composition and properties.
A paper has been published in Proceedings of the XXXIV ICPIG; ICRP-10, July 14-19, 2019, Sapporo, Hokkaido, Japan.

Mikhail Gryaznevich

Executive Director and Chief Scientist of Tokamak Energy Ltd

We use extended duration, cyclical, “life tests” to validate the durability and reliability of a product during its development. Depending on the product and its application, these life tests can be highly resource-intensive which leads to increased cost. When testing involves plasma, it becomes significantly more complicated to scale back resource consumption without changing the characteristics of the plasma and affecting the outcome and relevancy of the test. The QDB global plasma model tool from Quantemol, coupled with their extensive plasma collisions and reactions database, enabled us to rapidly explore various optimization methodologies and parameters for the plasma-based life test of a new product we’re developing. We were able to arrive at an optimized plasma process which gives us equivalent species densities and an electron temperature as close as possible to the intended, final application process. This optimized process uses roughly 30 times less resources than the final application process. The money we saved pays for the subscription to QDB about 100 times over. We are quite satisfied!

Corporation name withheld

Member of Technical Staff

The speed with which you provided me a trial of QEC is greatly appreciated. I am very impressed with the software and plan to purchase it very soon.

Dr Paul Adamson

Naval Research Laboratory, USA

“Q-VT is an ideal platform for plasma reactor simulation, combining an intuitive GUI for getting started easily with expert level capabilities for accessing advanced features. The support is very responsive and efficiently provides customized solutions.”

Eberhard Baer

Simulation Department Fraunhofer Institute for Integrated Systems and Device Technology Erlangen, Germany

“Iodine might be a promising future propellant in electric space propulsion, however making predictive simulation of the thruster performances was difficult because the cross sections for the vast variety of electron-neutral collisions in iodine were lacking. With the service from Quantemol, we have been able to include a complete chemistry set in our global models and fluid simulations of iodine plasmas and compare gridded ion thrusters operating in Iodine and Xenon. We will definitely use Quantemol services again should we need more electron-molecule scattering cross sections data.”

Ane Aanesland

CEO and founder of ThrustMe and former Head of the Low Temperature Plasma group at the Laboratoire de Physique des Plasmas, Ecole Polytechnique – CNRS, France

“We – myself and my students – are happy users of the Quantemol-N UK package code for the past two years. Earlier we were working on electron scattering at intermediate and high energies, but with this code we have extended our energy range to low energies as well. We have now made comprehensive calculations on electron collision processes from almost 0.1 to about 2000 eV, for a variety of well known and lesser known molecules. An important output of the Quantemol is in the form of BEB ionization cross sections, which we can now compare with cross sections calculated in our method.”

Prof. K. N. Joshipura

Department of Physics, Sardar Patel University, Gujarat-India

“We are users of a lot of electron-molecule scattering data since models of swarm transport coefficients and weakly ionized gases require complete representation of number, momentum and energy balances. Thus we were really happy to hear that there is a code that may cover some of the missing data and that it was packaged in such a way that we (non specialists) could use it. In our first months of use we were really impressed by the level of cooperation, support and understanding from the Quantemol-N staff and how the code has grown to a very user friendly system, based, to a considerable degree, on our initial difficulties in using the code. In very short time the code has become one of the most important tools in our work on evaluation of cross section sets for plasma modeling. Most importantly the code deals with some systems that cannot be studied experimentally easily, such as radicals and very reactive molecules.”

Prof. Dr Zoran Lj. Petrovic

Institute of Physics Belgrade, The University of Belgrade, Serbian Academy of Arts and Sciences

“Good software for finding low energy electron molecule scattering resonances with excellent user support.”

Dr Tom Field

Centre for Plasma Physics, School of Maths and Physics, Queen’s University Belfast

“We are fully satisfied with your software and support. We are convinced it is absolutely beneficial to our business. In addition we appreciate your regular and frequent software updates and are looking forward to more implemented innovations.”

An industrial user

“… liked the simple screen approach to using the program. You were guided through the stages required to complete the calculation and everything was directly in front of you on the screen.”

A conference delegate