| 1. |
- Abdelgaid, Mona, et al.
(författare)
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Multiscale modeling reveals aluminum nitride as an efficient propane dehydrogenation catalyst
- 2023
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Ingår i: Catalysis Science and Technology. - 2044-4753 .- 2044-4761. ; 13:12, s. 3527-3536
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Tidskriftsartikel (refereegranskat)abstract
- Nonoxidative propane dehydrogenation (PDH) is a promising route to meet the steadily increasing demand for propylene, an important building block in the chemical industry. Wurtzite group-IIIA metal nitrides are potential catalysts for PDH with high chemical, thermal, and mechanical stability alongside inherent Lewis acid-base properties that can activate the C-H bond of alkanes. Herein, we investigate the catalytic behavior of pristine (AlN) and gallium-doped (Ga/AlN) aluminum nitride for PDH via concerted and various stepwise mechanisms using density functional theory (DFT) calculations and microkinetic modeling (MKM). The reaction profiles investigated with DFT calculations are used in MKM, which reveals that the stepwise mechanisms produce >99% of propylene on both AlN and Ga/AlN. AlN has approximately one order of magnitude higher activity than Ga/AlN due to lower barriers along the dominant PDH reaction pathway. In summary, we propose the potential application of AlN as an efficient dehydrogenation catalyst for the conversion of light alkanes into valuable olefins. In addition, we show that multiscale simulations are essential to evaluate the catalytic behavior of complex alkane conversion reaction networks and obtain activity trends for dehydrogenation catalysts.
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| 2. |
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| 3. |
- Andersen, JR, et al.
(författare)
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Small-x phenomenology - summary and status 2002
- 2004
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Ingår i: European Physical Journal C. Particles and Fields. - : Springer Science and Business Media LLC. - 1434-6044. ; 35:1, s. 67-98
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Forskningsöversikt (refereegranskat)abstract
- A second workshop on small-x physics, within the Small-x Collaboration, was held in Lund in June 2002 with the aim of over-viewing recent theoretical progress in this area and summarizing the experimental status.
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| 4. |
- Andersson, Bo, et al.
(författare)
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Small x phenomenology: summary and status
- 2002
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Ingår i: European Physical Journal C. Particles and Fields. - : Springer Science and Business Media LLC. - 1434-6044. ; 25:1, s. 77-101
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Forskningsöversikt (refereegranskat)abstract
- The aim of this paper is to summarize the general status of our understanding of small-x physics. It is based on presentations and discussions at an informal meeting OIL this topic held in Lund, Sweden, in March 2001. This document also marks the founding of an informal collaboration between experimentalists and theoreticians with a special interest in small-x physics. This paper is dedicated to the memory of Bo Andersson. who died unexpectedly from a heart attack on March 4th, 2002.
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| 7. |
- Gustafson, Gösta, et al.
(författare)
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A simple model for the BFKL-DGLAP transition in deep inelastic scattering
- 2002
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Ingår i: European Physical Journal C. Particles and Fields. - : Springer Science and Business Media LLC. - 1434-6044. ; 23:2, s. 267-274
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Tidskriftsartikel (refereegranskat)abstract
- A simple model is presented which interpolates between the DGLAP and BFKL regimes in deep inelastic cp scattering. This model is based on the CCFM and LDC models, and it is simple enough to provide an intuitive picture of the transition region between the two domains. Results are presented for both fixed and running coupling; for fixed coupling the transition between the domains occurs at a constant ratio between Ink 2 L and In 1/x, while for a running coupling it occurs for constant ratio between lnlnk(2) and ln 1/x.
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| 8. |
- Gustafson, Gösta, et al.
(författare)
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Gluon distribution functions in the k(perpendicular to) -factorization approach
- 2002
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Ingår i: Journal of High Energy Physics. - : Springer Science and Business Media LLC. - 1029-8479. ; 33:10, s. 2989-2993
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Tidskriftsartikel (refereegranskat)abstract
- At small x, the effects of finite transverse momenta of partons inside a hadron become increasingly important, especially in analyses of jets and heavy-quark production. These effects can be systematically accounted for in a formalism based on k(perpendicular to)-factorization and unintegrated distribution functions. We present results for the unintegrated distribution function, together with the corresponding integrated one, obtained within the framework of the Linked Dipole Chain model. Comparisons are made to results obtained within other approaches.
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| 9. |
- Gustafson, Gösta, et al.
(författare)
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Hadronic collisions in the linked dipole chain model
- 2003
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Ingår i: Physical Review D (Particles, Fields, Gravitation and Cosmology). - 1550-2368. ; 67:034020:3
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Tidskriftsartikel (refereegranskat)abstract
- We apply the Linked Dipole Chain model to hadronic collisions using a modified version of the LDCMC Monte Carlo program. In particular we investigate the effects of multiple scatterings, which in this framework are reformulated in terms of the production of multiple chains of dipoles. We find, among other things, that this way of describing multiple scatterings is less sensitive to the treatment of soft, non-perturbative, scatterings. Although the results presented here are only at parton level, by comparing with corresponding results from PYTHIA, we are confident that our model will be able to describe essential features of high energy hadronic collisions, including underlying events and jet-pedestal effects in high pT events. The model should also be applicable to estimates of transverse energy flow in high energy heavy ion collisions, of interest in analyses of signals for quark-gluon plasma formation.
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