Publications
Project publications
Papers
L L Alves and A Tejero-del-Caz
Charged particle transport models for global models
Plasma Sources Sci. Technol. 32 054003, 2023
Communications to conferences
D R Ferreira, A Lança, and L L Alves
Machine Learning for Chemistry Reduction in N2–H2 Low-Temperature Plasmas (abstract - to be published)
Machine Learning for Chemistry and Chemical Engineering (ML4CCE), Vilnius, September 2024
W Graef, E Carbone, L Vialetto, L L Alves on behalf of the LXCat Team
The 2024 status report on the LXCat project (abstract)
Europhysics Conference on Atomic and Molecular Physics of Ionized Gases (ESCAMPIG), Brno, July 2024
A Tejero-del-Caz, D Simões, T C Dias, V Guerra, M Lino da Silva, L Marques, N Pinhão, C D Pintassilgo and L L Alves
The LisbOn KInetics LoKI-B+C simulation tool (poster)
Europhysics Conference on Atomic and Molecular Physics of Ionized Gases (ESCAMPIG), Brno, July 2024
D Simões, J Martins, S Baghel, J P Booth, D R Ferreira, O Guaitella, L Marques, N Pinhão, C D Pintassilgo and L L Alves
Plasma-surface coupled modelling of ammonia production in DC discharges (poster)
Europhysics Conference on Atomic and Molecular Physics of Ionized Gases (ESCAMPIG), Brno, July 2024
A Tejero-del-Caz, T C Dias, V Guerra, M Lino da Silva, L Marques, N Pinhão, C D Pintassilgo and L L Alves
The LisbOn KInetics simulation tools and data (poster)
International School on Atomic and Molecular Data Evaluation and Curation, Valladolid, October 2023
A Tejero-del-Caz, T C Dias, V Guerra, M Lino da Silva, L Marques, N Pinhão, C D Pintassilgo and L L Alves
The LisbOn KInetics simulation tools (poster)
XXXV International Conference on Phenomena in Ionized Gases (ICPIG), The Netherlands, July 2023
Invited talks
L L Alves
Global modelling of non-equilibrium low-temperature plasmas
Europhysics Conference on Atomic and Molecular Physics of Ionized Gases (ESCAMPIG), Brno, July 2024
L L Alves
Making a case for open‐source codes: the example of the LisbOn KInetics tool
International Conference on Fundamental Plasma Physics, Torino, Italy, June 2023
L L Alves and A Tejero-del-Caz
How relevant is charged particle transport in global models?
Plasma Tech 2023: "Plasma Processing and Technology International Conference 2023", Lisbon, Portugal, April 2023
Publications with information about the LisbOn KInetics (LoKI) simulation tool
Project key-publications by the team members
A Tejero-del-Caz, V Guerra, N Pinhão, C D Pintassilgo and L L Alves
On the quasi-stationary approach to solve the electron Boltzmann equation in pulsed plasmas
Plasma Sources Sci. Technol. 30 065008, 2021
A Tejero-del-Caz, V Guerra, D Gonçalves, M Lino da Silva, L Marques, N Pinhão, C D Pintassilgo and L L Alves
The LisbOn KInetics Boltzmann solver
Plasma Sources Sci. Technol. 28 043001, 2019
https://github.com/IST-Lisbon/LoKI
V Guerra, A Tejero-del-Caz, C D Pintassilgo and L L Alves
Modelling N2–O2 plasmas: volume and surface kinetics
Plasma Sources Sci. Technol. 28 073001, 2019
L L Alves, A Bogaerts, V Guerra and M M Turner
Foundations of modelling of nonequilibrium low-temperature plasmas
Plasma Sources Sci. Technol. 27 023002, 2018
M Jiménez-Redondo, A Chatain, L Vettier, O Guaitella, G Cernogora, N Carrasco, L L Alves and L Marques
N2-H2 capacitively coupled radio-frequency discharges at low pressure. Part I: experimental results: effect of the H2 amount on electrons, positive ions and ammonia formation; Part II: Modelling results: the relevance of plasma-surface interaction
Plasma Sources Sci. Technol. 29 085019, 2020
Plasma Sources Sci. Technol. 29 085023, 2020
J P Booth, O Guaitella, A Chatterjee, C Drag, V Guerra, D Lopaev, S Zyryanov, T Rakhimova, D Voloshin and Y Mankelevich
Oxygen (3P) atom recombination on a Pyrex surface in an O2 plasma
Plasma Sources Sci. Technol. 28 055005, 2019
Determination of absolute O(3P) and O2(a1Δg) densities and kinetics in fully modulated O2 dc glow discharges from the O2(X3Σg−) afterglow recovery dynamics
Plasma Sources Sci. Technol. 29 115009, 2020
Publications on N2-H2 chemistry and on catalysis
J Loureiro, V Guerra, P A Sá, C D Pintassilgo and M Lino da Silva
Non-equilibrium kinetics in N2 discharges and post-discharges: a full picture by modelling and impact on the applications
Plasma Sources Sci. Technol. 20 024007, 2011
L L Alves, L Marques, C D Pintassilgo, G Wattieaux, Et Es-sebbar, J Berndt, E Kovacevic, N Carrasco, L Boufendi and G Cernogora
Capacitively coupled radio-frequency discharges in nitrogen at low pressures
Plasma Sources Sci. Technol. 21 045008, 2012
C D Pintassilgo and V Guerra
Modelling of the temporal evolution of the gas temperature in N2 discharges
Plasma Sources Sci. Technol. 26 055001, 2017
L. Marques, J. Jolly and L. L. Alves
Capacitively coupled radio-frequency hydrogen discharges: The role of kinetics
J. Appl. Phys. 102 063305, 2007
J Loureiro and A Ricard
Electron and vibrational kinetics in an N2-H2 glow discharge with application to surface processes
J. Phys. D. Appl. Phys. 26 163–76, 1993
B Gordiets, C M Ferreira, M J Pinheiro and A Ricard
Self-consistent kinetic model of low-pressure N2-H2 flowing discharges
I. Volume processes
Plasma Sources Sci. Technol. 7 363–78, 1998
II. Surface processes and densities of N, H, NH3 species
Plasma Sources Sci. Technol. 7 379–88, 1998
E Carrasco, M Jiménez-Redondo, I Tanarro and V J Herrero
Neutral and ion chemistry in low pressure dc plasmas of H2/N2 mixtures: routes for the efficient production of NH3 and NH4+
Phys. Chem. Chem. Phys. 13 19561–19572, 2011
E. Carrasco, I Tanarro, V J Herrero and J Cernicharo
Proton transfer chains in cold plasmas of H2 with small amounts of N2. The prevalence of NH4+
Phys. Chem. Chem. Phys. 15 1699-1706, 2013
M L Carreon
Plasma catalytic ammonia synthesis: state of the art and future directions
J. Phys. D: Appl. Phys. 52 0483001, 2019
X Hu, X Zhu, X Wu, Y Cai and X Tu
Plasma‐enhanced NH3 synthesis over activated carbon‐based catalysts: Effect of active metal phase
Plasma Process. Polym. e2000072, 2020
R Brandenburg, A Bogaerts, W Bongers, A Fridman, G Fridman, B R Locke, V Miller, S Reuter, M Schiorlin, T Verreycken and K Ostrikov
White paper on the future of plasma science in environment, for gas conversion and agriculture
Plasma Process Polym. 16 e1700238, 2019
A Bogaerts, X Tu, J C Whitehead, G Centi, L Lefferts, O Guaitella, F Azzolina-Jury, H-H Kim, A B Murphy, W F Schneider, T Nozaki, J C Hicks, A Rousseau, F Thevenet, A Khacef and M Carreon
The 2020 plasma catalysis roadmap
J. Phys. D: Appl. Phys. 53 443001, 2020
J Shah, W Wang, A Bogaerts and M L Carreon
Ammonia Synthesis by Radio Frequency Plasma Catalysis: Revealing the Underlying Mechanisms
ACS Appl. Energy Mater. 19 4824-4839, 2018
J Hong, S Pancheshnyi, E Tam, J J Lowke, S Prawer and A B Murphy
Kinetic modelling of NH3 production in N2–H2 non-equilibrium atmospheric-pressure plasma catalysis
J. Phys. D: Appl. Phys. 50 154005, 2017
Publications on sensitivity analysis and reduction of chemistry schemes
M M Turner
Uncertainty and sensitivity analysis in complex plasma chemistry models
Plasma Sources Sci. Technol. 25 015003, 2016
K Peerenboom, A Parente, T Kozák, A Bogaerts and G Degrez
Dimension reduction of non-equilibrium plasma kinetic models using principal component analysis
Plasma Sources Sci. Technol. 24 025004, 2015
A Obrusník, P Bílek, T Hoder, M Šimek and Z Bonaventura
Electric field determination in air plasmas from intensity ratio of nitrogen spectral bands
I. Sensitivity analysis and uncertainty quantification of dominant processes
Plasma Sources Sci. Technol. 27 085013, 2018
II. Reduction of the uncertainty and state-of-the-art model
Plasma Sources Sci. Technol. 27 085012, 2018<br>
P Koelman, D Yordanova, W Graef, S T Mousavi and J van Dijk
Uncertainty analysis with a reduced set of input uncertainties selected using pathway analysis
Plasma Sources Sci. Technol. 28 075009, 2019
A Ayilaran, M Hanicinec, S Mohr and J Tennyson
Reduced chemistries with the Quantemol database (QDB)
Plasma Sources Sci. Technol. 21 064006, 2019
M Hanicinec, S Mohr and J Tennyson
Fast species ranking for iterative species-oriented skeletal reduction of chemistry sets
Plasma Sci. Technol. 29 125024, 2021
L Terraz, T. Silva, A Tejero-del-Caz, L L Alves and V Guerra
Sensitivity analysis in plasma chemistry: application to oxygen cold plasmas and the LoKI simulation tool
J. Phys. Chem. A 124(22), 4354–4366, 2020
M D Morris
Factorial sampling plans for preliminary computational experiments
Technometrics 33 161–74, 1991
P Cortez and M J Embrechts
Using sensitivity analysis and visualization techniques to open black box data mining models
Inf. Sci. 225 1-17, 2013
Publications about LXCat
L C Pitchford, L L Alves, K Bartschat, S F Biagi, M-C Bordage, I Bray, C E Brion, M J Brunger, L Campbell, A Chachereau, B Chaudhury, L G Christophorou, E Carbone, N A Dyatko, C M Franck, D V Fursa, R K Gangwar, V Guerra, P Haefliger, G J M Hagelaar, A Hoesl, Y Itikawa, I V Kochetov, R P McEachran, W L Morgan, A P Napartovich, V Puech, M Rabie, L Sharma, R Srivastava, A D Stauffer, J Tennyson, J de Urquijo, J van Dijk, L A Viehland, M C Zammit, O Zatsarinny and S Pancheshnyi
LXCat: an Open-Access, Web-Based Platform for Data Needed for Modeling Low Temperature Plasmas
Plasma Process. Polym. 21, 2016
E Carbone, W Graef, G Hagelaar, D Boer, M M. Hopkins, J C. Stephens, B T. Yee, S Pancheshnyi, J van Dijk, L Pitchford, and on behalf of the LXCat Team
Data Needs for Modeling Low-Temperature Non-Equilibrium Plasmas: The LXCat Project, History, Perspectives and a Tutorial
Atoms 9 16, 2021