Data from steady-state simulation and economic evaluation in the power to methane context for synthetic natural gas production and power generation.

The data presented in this article is generated by a steady-state simulation for performing a techno-economic assessment for comparing three electrolysis technologies in the PtM context. The data is focused on two aspects. First, the description of the steady-state simulation of six PtM systems modeled using Aspen Custom Modeler (ACM) and Aspen Plus (AP).

Photocatalytic ozonation in water treatment: Is there really a synergy between systems?

Numerous studies report on the synergy between ozonation and photocatalytic oxidation (TiO/UVA), which could open the way to the application of photocatalytic ozonation (PCOz) in water treatment. With the aim of establishing the existence of this synergy and its origin, in this work, using TiO P25, 365 nm UVA LEDs and ozone transferred doses up to 5 mg (mg DOC) (DOC 7 - 10 mg L), a systematic study has been carried out featuring the effect of pH, alkalinity and water matrix in each of the systems involved in PCOz, with special attention to the role of organics adsorption onto TiO. In ultrapure water, an increase in pH and carbonates content exerted a slight negative effect on the photocatalytic degradation of primidone (low adsorption onto TiO and mainly abated by free HO), this effect being higher on its mineralization.

Proposal of an open-source computational toolbox for solving PDEs in the context of chemical reaction engineering using FEniCS and complementary components.

In this contribution, an open-source computational toolbox composed of FEniCS and complementary packages is introduced to the chemical and process engineering field by addressing two case studies. First, the oxidation of o-xylene to phthalic anhydride is modelled and used as a FEniCS' proof-of-concept based on a comparison with the software Aspen Custom Modeler (ACM). The results show a maximum absolute error of 2% and thus a good FEniCS/ACM agreement.

Ozone-Based Advanced Oxidation Processes for Primidone Removal in Water using Simulated Solar Radiation and TiO or WO as Photocatalyst.

In this work, primidone, a high persistent pharmacological drug typically found in urban wastewaters, was degraded by different ozone combined AOPs using TiO P25 and commercial WO as photocatalyst. The comparison of processes, kinetics, nature of transformation products, and ecotoxicity of treated water samples, as well as the influence of the water matrix (ultrapure water or a secondary effluent), is presented and discussed. In presence of ozone, primidone is rapidly eliminated, with hydroxyl radicals being the main species involved.