Methods, algorithms and computer codes for calculation of electron-impact excitation parameters

We describe the computer codes, developed at Vilnius University, for the calculation of electron-impact excitation cross sections, collision strengths, and excitation rates in the plane-wave Born approximation. These codes utilize the multireference atomic wavefunctions which are also adopted to calculate radiative transition parameters of complex many-electron ions. This leads to consistent data sets suitable in plasma modelling codes. Two versions of electron scattering codes are considered in the present work, both of them employing configuration interaction method for inclusion of correlation effects and Breit-Pauli approximation to account for relativistic effects. These versions differ only by one-electron radial orbitals, where the first one employs the non-relativistic numerical radial orbitals, while another version uses the quasirelativistic radial orbitals. The accuracy of produced results is assessed by comparing radiative transition and electron-impact excitation data for neutral hydrogen, helium and lithium atoms as well as highly-charged tungsten ions with theoretical and experimental data available from other sources.Comment: Lithuan. J. Physic

Geopolymers based on spent catalyst residue from a fluid catalytic cracking (FCC) process

This paper assesses the use of alkali activation technology in the valorization of a spent fluid catalytic cracking (FCC) catalyst, which is a residue derived from the oil-cracking process, to produce geopolymer binders. In particular, the effects of activation conditions on the structural characteristics of the spent catalyst- based geopolymers are determined. The zeolitic phases present in the spent catalyst are the main phases participating in the geopolymerization reaction, which is driven by the conversion of the zeolitic material to a highly Al-substituted aluminosilicate binder gel. Higher alkali content and SiO2/Na2O ratio lead to a denser structure with a higher degree of geopolymer gel formation and increased degree of crosslinking, as identified through 29Si MAS NMR. These results highlight the feasibility of using spent FCC catalyst as a precursor for geopolymer production.This study was sponsored by research scholarship BES-2008-002440 and EEBB-2011-43847 from the Ministerio de Ciencia y Tecnologia of Spain, the European regional development fund (FEDER), and the Universitat Politecnica de Valencia (Spain). The participation of SAB and JLP was funded by the Australian Research Council through the Discovery Projects program, and also including partial funding through the Particulate Fluids Processing Centre, a Special Research Centre of the ARC. The authors wish to acknowledge the Advanced Microscopy Facility at The University of Melbourne for assistance with the electron microscopy experiments conducted in this study.Rodriguez Martinez, ED.; Bernal, SA.; Provis, JL.; Gehman, JD.; Monzó Balbuena, JM.; Paya Bernabeu, JJ.; Borrachero Rosado, MV. (2013). Geopolymers based on spent catalyst residue from a fluid catalytic cracking (FCC) process. Fuel. 109:493-502. https://doi.org/10.1016/j.fuel.2013.02.053S49350210