Dr. ir. Lennart Joos

Carbon Capture and Sequestration (CCS)

CCS is one of the most promising technologies to reduce CO2 emissions in the short term. I'm investigating the competitive adsorption of H2O and CO2 in nanoporous materials using molecular simulations. For this project, I was on a year-long research stay in the group of Prof. Berend Smit as a visiting Fulbright scholar at UC Berkeley.

The results were reported in several Flemish newspapers (the links to several websites can be found here) and an interview appeared on an economical television channel.





NOx removal

Nitrogen oxides, NOx, are formed in all combustion engines and are hazardous for men and environment. A new process was investigated that can 'capture' the NOx from the exhaust gases using heteropoly acids. Quantum chemical free-energy calculations indicated that the adsorption process is entropy-driven, as more gas molecules are released than adsorbed by substitution of H5O2+ with NO+ species.


Rational Zeolite Design

Zeolites are widely used in the petrochemical industry, as both catalysts and adsorbents (for CO2 for instance). Although the search for new zeolites has traditionally been based on trial and error, more rational methods are now available. Theoretical simulations provide a fundamental understanding of the chemical reactions that are at play in zeolite synthesis and can help to uncover the next generation materials. For this, a strong collaboration with Prof. Kirschhock and Prof. Martens from the Centre for Surface Chemistry and Catalysis (COK-KULeuven) is maintained.


Fischer-Tropsch synthesis

Fischer-Tropsch synthesis is an attractive process to convert alternative carbon sources -such as biomass, natural gas or coal- to fuels and chemicals. The deactivation of cobalt catalysts by carbon deposition was the topic my master thesis. This work has been completed in the beginning of my PhD in collaboration with Prof. Rutger van Santen at TU/Eindhoven.

A1 publications

2016

Cutting the cost of carbon capture: a case for carbon capture and utilization , L. Joos, J. Huck, V. Van Speybroeck, B. Smit , Faraday Discussions , 192, 391-414 , 2016 , IF: 3.544 , 43/144 [Q2]

2015

Advances in theory and their application within the field of zeolite chemistry , V. Van Speybroeck, K. Hemelsoet, L. Joos, M. Waroquier, R.G. Bell, C.R.A. Catlow , Chemical Society Reviews , Vol. 44 , 7044-7111 , 2015 , IF: 34.090 , 2/163 [Q1]
Carbon Capture Turned Upside Down: High-Temperature Adsorption & Low-Temperature Desorption (HALD) , L. Joos, K. Lejaeghere, J. Huck, V. Van Speybroeck, B. Smit , Energy & Environmental Science , 8, 2480-2491 , 2015 , IF: 25.427 , 1/225 [Q1]

2014

Flexibility versus rigidity: what determines the stability of zeolite frameworks? A case study , E. Verheyen, L. Joos, C. Martineau, C.J. Dawson, C. Weidenthaler, W. Schmidt, R. Yuan, E. Breynaerts, V. Van Speybroeck, M. Waroquier, F. Taulelle, M.M.J. Treacy, J.A. Martens, C. Kirschhock , Materials Horizons , Vol. 1 , 582 - 587 , 2014 , IF: --.--- , New journal
Reactivity of CO on carbon covered cobalt surfaces in Fischer-Tropsch Synthesis , L. Joos, I. Filot, S. Cottenier, E. Hensen, M. Waroquier, V. Van Speybroeck, R.A. van Santen , Journal of Physical Chemistry C , 118 (10), 5317–5327 , 2014 , IF: 4.772 , 32/259 [Q1]

2013

Molecular Simulation Study of the Competitive Adsorption of H2O and CO2 in Zeolite 13X , L. Joos, J.A. Swisher, B. Smit, A. Bruder , Langmuir , 29 (48), 14743-14747 , 2013 , IF: 4.384 , 31/251 [Q1]

2012

Design of zeolite by inverse sigma transformation , E. Verheyen, L. Joos, K. Van Havenbergh, N. Kasian, E. Gobechiya, K. Houthoofd, M. Hinterstein, E. Breynaerts, V. Van Speybroeck, M. Waroquier, S. Bals, G. Van Tendeloo, C. Kirschhock, J.A. Martens , Nature Materials , 11 (12), 1059-1064 , 2012 , IF: 35.749 , 1/239 [Q1]
Entropy-Driven Chemisorption of NOx on Phosphotungstic Acid , S. Heylen, L. Joos, V. Van Speybroeck, C. Kirschhock, J.A. Martens , Angewandte Chemie int. Ed. , 51 (44), 11010-11013 , 2012 , IF: 13.734 , 7/152 [Q1]

A2 publications

B publications

P1 publications

Keynote / Plenary / Invited talks

2015

Invited talk

Carbon Capture Turned Upside Down: High-Temperature Adsorption & Low-Temperature Desorption (HALD) , L. Joos, K. Lejaeghere, J. Huck, V. Van Speybroeck, B. Smit , Visit group of Prof. Geoffroy Hautier , Louvain-la-Neuve , Tue, 23/06/2015

Talks

2014

Computational Study of the Reversible Opening and Closing of the COK-14 zeolite , L. Joos, E. Verheyen, C. Martineau, C.J. Dawson, C. Weidenthaler, W. Schmidt, R. Yuan, E. Breynaerts, M. Waroquier, F. Taulelle, M.M.J. Treacy, J.A. Martens, C. Kirschhock, V. Van Speybroeck , WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems , Concepción, Chili , Mon, 13/10/2014 to Tue, 14/10/2014
Computational study of the reversible opening-closing of the COK-14 zeolite , L. Joos, E. Verheyen, E. Breynaerts, C. Kirschhock, J.A. Martens, C. Martineau, F. Taulelle, C.J. Dawson, M.M.J. Treacy, C. Weidenthaler, W. Schmidt, M. Waroquier, V. Van Speybroeck , ACS Fall 2014 , San Francisco, USA , Sun, 10/08/2014 to Thu, 14/08/2014
Entropy-driven chemisorption of NOx on phosphotungstic acid , L. Joos, S. Heylen, T. Parac-Vogt, V. Van Speybroeck, C. Kirschhock, J.A. Martens , ACS Fall 2014 , San Francisco, USA , Sun, 10/08/2014 to Thu, 14/08/2014
COK-18, A chain-like POSiSil , S. Smet, S. Vandenbrande, P. Verlooy, L. Joos, L. Vanduyfhuys, T. Verstraelen, V. Van Speybroeck, J.A. Martens , Annual IAP - WP2 Meeting (P7/05) , Gent, Belgium , Wed, 05/02/2014

2013

Design of zeolite by inverse sigma transformation , E. Verheyen, L. Joos, K. Van Havenbergh, E. Breynaerts, N. Kasian, E. Gobechiya, K. Houthoofd, C. Martineau, M. Hinterstein, F. Taulelle, V. Van Speybroeck, M. Waroquier, S. Bals, G. Van Tendeloo, C. Kirschhock, J.A. Martens , IZC17 , Moscow, Russia , p. 70 , Sun, 07/07/2013 to Fri, 12/07/2013
The superacid that can keep our air superclean , L. Joos, S. Heylen, V. Van Speybroeck, C. Kirschhock, J.A. Martens , TEDxGhent , Gent , Sat, 22/06/2013

2012

Effect of carbon fouling of cobalt surfaces on the reactivity of CO in Fischer-Tropsch synthesis , L. Joos, I. Filot, M. Waroquier, S. Cottenier, V. Van Speybroeck, R.A. van Santen , 14th International Conference on Theoretical Aspects of Catalysis (ICTAC-14 - 2012) , Vlissingen, The Netherlands , Tue, 26/06/2012 to Sat, 30/06/2012

Posters

2015

Carbon Capture Turned Upside Down with HALD: High-temperature Adsorption & Low-temperature Desorption , L. Joos, K. Lejaeghere, J. Huck, V. Van Speybroeck, B. Smit , Gordon Research Conference , Easton, MA, USA , Sun, 31/05/2015 to Fri, 05/06/2015

2014

From Accurate Models to Zero Emissions , L. Joos, B. Smit, V. Van Speybroeck , 15th FEA Research Symposium , Gent, Belgium , Fri, 05/12/2014
Ab initio simulation of the IR spectrum of COK-18, a chain-like POSiSil , S. Vandenbrande, P. Verlooy, S. Smet, L. Joos, L. Vanduyfhuys, T. Verstraelen, J.A. Martens, V. Van Speybroeck , Meeting of the Dutch Zeolite Association: on Hybrids and zeolites , Ghent, Belgium , Tue, 07/10/2014
Computational Study of the Reversible Opening and Closing of the COK-14 zeolite , L. Joos, E. Verheyen, E. Breynaerts, C. Kirschhock, J.A. Martens, C. Martineau, F. Taulelle, C.J. Dawson, M.M.J. Treacy, C. Weidenthaler, W. Schmidt, M. Waroquier, V. Van Speybroeck , WATOC 2014 , Santiago de Chile, Chile , Sun, 05/10/2014 to Fri, 10/10/2014
Ab initio simulation of the IR spectrum of COK-18, a chain-like POSiSil , S. Vandenbrande, P. Verlooy, S. Smet, L. Joos, L. Vanduyfhuys, T. Verstraelen, J.A. Martens, V. Van Speybroeck , Annual IAP Meeting (P7/05) , Louvain-La-Neuve, Belgium , Fri, 19/09/2014
Computational Study of the Reversible Opening-Closing of the COK-14 zeolite. , L. Joos, E. Verheyen, C. Kirschhock, J.A. Martens, M. Waroquier, V. Van Speybroeck , IAP meeting , Louvain-La-Neuve , Fri, 19/09/2014

2013

Lithium as a Trojan Horse for Aluminum Incorporation in Zeolites , L. Joos, G. Van Tendeloo, K. Lauwers, Y. Lorgouilloux, V. Van Speybroeck, C. Kirschhock, J.A. Martens , IZC17 , Moscow, Russia , Sun, 07/07/2013 to Fri, 12/07/2013
Computational Approach of the Inverse Sigma Transformation of Zeolites , E. Verheyen, L. Joos, K. Van Havenbergh, E. Breynaerts, N. Kasian, E. Gobechiya, K. Houthoofd, C. Martineau, M. Hinterstein, F. Taulelle, V. Van Speybroeck, M. Waroquier, S. Bals, G. Van Tendeloo, C. Kirschhock, J.A. Martens , IZC17 , Moscow, Russia , Sun, 07/07/2013 to Fri, 12/07/2013

2012

Mechanism of NOx Chemisorption on Solid Phosphotungstic Acid , S. Heylen, L. Joos, V. Van Speybroeck, C. Kirschhock, T. Parac-Vogt, J.A. Martens , (presenting author: L. Joos), SMARTER 3 Conference , Versailles, France , Mon, 10/09/2012 to Thu, 13/09/2012
Reactivity of CO on clean and carbon covered cobalt surfaces in Fischer-Tropsch synthesis , L. Joos, I. Filot, M. Waroquier, S. Cottenier, V. Van Speybroeck, R.A. van Santen , XIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XIII) , Noordwijkerhout, The Netherlands , Mon, 05/03/2012 to Wed, 07/03/2012
Reactivity of CO on clean and carbon covered cobalt surfaces in Fischer-Tropsch synthesis , L. Joos, I. Filot, M. Waroquier, S. Cottenier, V. Van Speybroeck, R.A. van Santen , MolSim2012 , Amsterdam , Mon, 09/01/2012 to Fri, 20/01/2012

Dissertations

(D1) , Advanced Molecular Models for the Design of Entropy-Driven Processes and Tailored Nanomaterials to Reduce CO2 and NOx Emissions , L. Joos , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. C. Kirschhock , 22/10/2015
(D2) , Invloed van koolstofspecies op de reactiviteit van CO over kobalt oppervlakken , L. Joos , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier , 2011

Miscellaneous

Modelling - from molecules to megascale: general discussion , B. Smit, P. Styring, W. Grant, G. Rochelle, F. Donat, J. Yao, M. Trusler, C. Adjiman, S. Lyth, J.S.M. Lee, T. Hills, P. Brandl, M. Gazzani, R. Cuellar-Franca, P. Fennell, D. Sutter, M. Bui, C. Scholes, G. Dowson, J. Gibbins, L. Joss, G. Maitland, S. Brandani, P. Garcia-Gutierrez, Y. Zhang, C. Muller, G. Jackson, R. Ocone, L. Joos, R. Bell, R. Graham, A. Barasinski , FARADAY DISCUSSIONS , 2016 , Modelling – from molecules to mega-scale: general discussion
The cheapest and greenest energy is the energy we don’t consume , L. Joos , Génération Energies (won 5th prize) , 2012 , energie.sia-conseil.com
Computationele studie op Fischer-Tropsch Synthese (poster) , L. Joos , IE-prijzen, Justitiepaleis Antwerpen, ingenieursprijs in de categorie 'Energie, Klimaat, Milieu en Natuur , 2011