Fast co-pyrolysis offers a sustainable solution for upcycling polymer waste, including scrap tyre and plastics. Previous studies primarily focused on slow heating rates, neglecting synergistic mechanisms and sulphur transformation in co-pyrolysis with tyre. This research explored fast co-pyrolysis of scrap tyre with polypropylene (PP), low-density polyethylene (LDPE), and polystyrene (PS) to understand synergistic effects and sulphur transformation mechanisms.
View Article and Find Full Text PDFA novel plate-to-plate dielectric barrier discharge microreactor (micro DBD) has been demonstrated in CO splitting. In this design, the ground electrode has a cooling microchannel to maintain the electrode temperature in the 263-298 K range during plasma operation. A small gap size between the electrodes of 0.
View Article and Find Full Text PDFMethanol-Water (mw) mixtures, with or without a solute, display a nonideal thermodynamic behavior, typically attributed to the structure of the microphase. However, experimental observation of the microphase structures at the molecular length scale has been a challenge. We report the presence of molecular clusters in mw and formaldehyde-methanol-water (fmw) mixtures using small-angle neutron scattering (SANS) experiments and molecular dynamics (MD) simulations.
View Article and Find Full Text PDFTo understand the mechanisms responsible for thermal decomposition of a Zr-MOF (MIL-140C), we perform atomistic-scale molecular dynamics (MD) simulations and discuss the simulation data in comparison with the TEM images obtained for the decomposed Zr-MOF. First, we introduce the ReaxFF parameters suitable for the Zr/C/H/O chemistry and then apply them to investigate the thermal stability and morphological changes in the MIL-140C during heating. Based on the performed simulations we propose an atomic mechanism for the collapse of the MIL-140C and the molecular pathways for carbon monoxide formation, the main product of the MIL-140C thermal degradation.
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