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Journal articles on the topic 'Photo-chemical process modelling'

Author: Grafiati

Published: 9 November 2024

Last updated: 31 July 2025

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1

Segarra-Martí, Javier, Sara M. Nouri, and Michael J. Bearpark. "Modelling Photoionisations in Tautomeric DNA Nucleobase Derivatives 7H-Adenine and 7H-Guanine: Ultrafast Decay and Photostability." Photochem 1, no. 2 (2021): 287–301. http://dx.doi.org/10.3390/photochem1020018.

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The study of radiation effects in DNA is a multidisciplinary endeavour, connecting the physical, chemical and biological sciences. Despite being mostly filtered by the ozone layer, sunlight radiation is still expected to (photo)ionise DNA in sizeable yields, triggering an electron removal process and the formation of potentially reactive cationic species. In this manuscript, photoionisation decay channels of important DNA tautomeric derivatives, 7H-adenine and 7H-guanine, are characterised with accurate CASSCF/XMS-CASPT2 theoretical methods. These simulation techniques place the onset of ionis

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Bock, Josué, Joël Savarino, and Ghislain Picard. "Air–snow exchange of nitrate: a modelling approach to investigate physicochemical processes in surface snow at Dome C, Antarctica." Atmospheric Chemistry and Physics 16, no. 19 (2016): 12531–50. http://dx.doi.org/10.5194/acp-16-12531-2016.

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Abstract. Snowpack is a multiphase (photo)chemical reactor that strongly influences the air composition in polar and snow-covered regions. Snowpack plays a special role in the nitrogen cycle, as it has been shown that nitrate undergoes numerous recycling stages (including photolysis) in the snow before being permanently buried in the ice. However, the current understanding of these physicochemical processes remains very poor. Several modelling studies have attempted to reproduce (photo)chemical reactions inside snow grains, but these have relied on strong assumptions to characterise snow react

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Arashiro, Larissa T., Angelica M. Rada-Ariza, Meng Wang, Peter van der Steen, and Sarina J. Ergas. "Modelling shortcut nitrogen removal from wastewater using an algal–bacterial consortium." Water Science and Technology 75, no. 4 (2016): 782–92. http://dx.doi.org/10.2166/wst.2016.561.

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A shortcut nitrogen removal process was investigated for treatment of high ammonium strength wastewater using an algal–bacterial consortium in photo-sequencing batch reactors (PSBRs). In this process, algae provide oxygen for nitritation during the light period, while denitritation takes place during the dark (anoxic) period, reducing overall energy and chemical requirements. Two PSBRs were operated at different solids retention times (SRTs) and fed with a high ammonium concentration wastewater (264 mg NH4+-N L−1), with a ‘12 hour on, 12 hour off’ light cycle, and an average surface light inte

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Velilla-Prieto, L., J. Cernicharo, M. Agúndez та ін. "IRC + 10°216 mass loss properties through the study of λ3 mm emission". Astronomy & Astrophysics 629 (вересень 2019): A146. http://dx.doi.org/10.1051/0004-6361/201834717.

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Low-mass evolved stars are major contributors to interstellar medium enrichment as a consequence of the intense mass-loss process these stars experience at the end of their lives. The study of the gas in the envelopes surrounding asymptotic giant branch (AGB) stars through observations in the millimetre wavelength range provides information about the history and nature of these molecular factories. Here we present ALMA observations at subarsecond resolution, complemented with IRAM-30 m data, of several lines of SiO, SiS, and CS towards the best-studied AGB circumstellar envelope, IRC + 10°216.

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Cüce, Hüseyin, and Duygu Özçelik. "Application of Machine Learning (ML) and Artificial Intelligence (AI)-Based Tools for Modelling and Enhancing Sustainable Optimization of the Classical/Photo-Fenton Processes for the Landfill Leachate Treatment." Sustainability 14, no. 18 (2022): 11261. http://dx.doi.org/10.3390/su141811261.

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This study presents a machine learning (ML)/artificial intelligence (AI)-based perspective to reliably predict and enhance the treatment efficiency of landfill leachate by classical-Fenton (c-Fenton) and photo-Fenton (p-Fenton) processes. This experiment also sought to lower treatment costs by evaluating the impact of using different numbers of UV-c (254 nm) lamps during p-Fenton processes, as well as to develop a sustainable process design for landfill leachate. In the modeling stage, the radial basis function neural network (RBFN), the feed forward neural network (FFNN), and the support vect

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Alimi, Oyeniyi A., Edson L. Meyer, and Olufemi I. Olayiwola. "Solar Photovoltaic Modules’ Performance Reliability and Degradation Analysis—A Review." Energies 15, no. 16 (2022): 5964. http://dx.doi.org/10.3390/en15165964.

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The current geometric increase in the global deployment of solar photovoltaic (PV) modules, both at utility-scale and residential roof-top systems, is majorly attributed to its affordability, scalability, long-term warranty and, most importantly, the continuous reduction in the levelized cost of electricity (LCOE) of solar PV in numerous countries. In addition, PV deployment is expected to continue this growth trend as energy portfolio globally shifts towards cleaner energy technologies. However, irrespective of the PV module type/material and component technology, the modules are exposed to a

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7

Casado, Cintia, José Moreno-SanSegundo, Irene De la Obra, Belén Esteban García, José Antonio Sánchez Pérez, and Javier Marugán. "Mechanistic modelling of wastewater disinfection by the photo-Fenton process at circumneutral pH." Chemical Engineering Journal 403 (January 2021): 126335. http://dx.doi.org/10.1016/j.cej.2020.126335.

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Csögör, Zsuzsa, Michael Herrenbauer, Iris Perner, Karsten Schmidt, and Clemens Posten. "Design of a photo-bioreactor for modelling purposes." Chemical Engineering and Processing: Process Intensification 38, no. 4-6 (1999): 517–23. http://dx.doi.org/10.1016/s0255-2701(99)00048-3.

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9

Villota, Natalia, Luis Miguel Camarero, Jose Maria Lomas, and Mikel Legaristi. "Kinetic Modelling of Photoconversion of Phenol by a Photo-Fenton Reagent and UV." International Journal of Chemical Reactor Engineering 12, no. 1 (2014): 405–16. http://dx.doi.org/10.1515/ijcre-2013-0130.

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Abstract This study analyses the oxidation of phenol using Fenton reagent in presence of ultraviolet light, enhancing the mineralization capacity of the treatment. Phenol oxidation generates reaction intermediates more toxic and refractory than phenol itself. Thus, the reaction must be carried out under harder conditions, leading these compounds to biodegradable acids that can be dumped into public sewages. Then, this paper considers a complete kinetic modelling of the phenol oxidation stages, differentiating the formation rate of species generated through ortho, meta and para pathways. The mo

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Hakim, Zainab Q., Scott Archer-Nicholls, Gufran Beig, et al. "Evaluation of tropospheric ozone and ozone precursors in simulations from the HTAPII and CCMI model intercomparisons – a focus on the Indian subcontinent." Atmospheric Chemistry and Physics 19, no. 9 (2019): 6437–58. http://dx.doi.org/10.5194/acp-19-6437-2019.

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Abstract. Here we present results from an evaluation of model simulations from the International Hemispheric Transport of Air Pollution Phase II (HTAPII) and Chemistry Climate Model Initiative (CCMI) model inter-comparison projects against a comprehensive series of ground-based, aircraft and satellite observations of ozone mixing ratios made at various locations across India. The study focuses on the recent past (observations from 2008 to 2013, models from 2009–2010) as this is most pertinent to understanding the health impacts of ozone. To our understanding this is the most comprehensive eval

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Ilnytskyi, Jaroslav, Dmytro Yaremchuk, and Orest Komarytsia. "Adsorption of Low Density Lipoproteins on an Azobenzene-Containing Polymer Brush: Modelling by Coarse-Grained Molecular Dynamics." Processes 11, no. 10 (2023): 2913. http://dx.doi.org/10.3390/pr11102913.

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One of the strategies to reduce the contents of low density lipoproteins (LDLs) in blood is a hemoperfusion, when they are selectively retracted from plasma by an adsorber located outside the patient’s body. Recently, a photo-controllable smart surface was developed experimentally, that is characterized by high selectivity and reusability. It comprises a nanocarrier functionalised by a brush of azobenzene-containing polymer chains. We present a mesoscopic model that mimics principal features of this setup and focus our study on the role played by the length and flexibility of the chains and gr

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Plake, D., M. Sörgel, P. Stella, A. Held, and I. Trebs. "Influence of meteorology and anthropogenic pollution on chemical flux divergence of the NO–NO<sub>2</sub>–O<sub>3</sub> triad above and within a natural grassland canopy." Biogeosciences 12, no. 4 (2015): 945–59. http://dx.doi.org/10.5194/bg-12-945-2015.

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Abstract. The detailed understanding of surface–atmosphere exchange fluxes of reactive trace gases is a crucial precondition for reliable modelling of processes in atmospheric chemistry. Plant canopies significantly impact the atmospheric budget of trace gases. In the past, many studies focused on taller forest canopies or crops, where the bulk plant material is concentrated in the uppermost canopy layer. However, within grasslands, a land-cover class that globally covers vast terrestrial areas, the canopy structure is fundamentally different, as the main biomass is concentrated in the lowest

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Brighenti, Roberto, Mattia Pancrazio Cosma, Liviu Marsavina, Andrea Spagnoli, and Michele Terzano. "Multiphysics modelling of the mechanical properties in polymers obtained via photo-induced polymerization." International Journal of Advanced Manufacturing Technology, July 30, 2021. http://dx.doi.org/10.1007/s00170-021-07273-2.

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AbstractPhotopolymerization is an advanced technology to trigger free radical polymerization in a liquid monomer solution through light-induced curing, during which mechanical properties of the material are significantly transformed. Widely used in additive manufacturing, parts fabricated with this technique display precisions up to the nanoscale; however, the performance of final components is not only affected by the raw material but also by the specific setup employed during the printing process. In this paper, we develop a multiphysics model to predict the mechanical properties of the phot

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14

Silvio, Aguilar, Rosado Daniel, Moreno-Andrés Javier, et al. "Inactivation of a wild isolated Klebsiella pneumoniae by photo-chemical processes: UV-C, UV-C/H2O2 and UV-C/H2O2/Fe3+." September 1, 2018. https://doi.org/10.1016/j.cattod.2017.10.043.

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Shrimp (Litopenaeus vannamei) farming is an important economic activity in several countries. Pathogens in shrimp farms and its effluents pose a potential hazard for both humans and shrimps. Wild strains of bacteria were characterized in a shrimp farm, and Klebsiella pneumoniae was chosen as a good indicator due to its presence in the pond and the effluent and its resistance to antibiotics. Different photochemical processes (UV/H<sub>2</sub>O<sub>2</sub>, UV/H<sub>2</sub>O<sub>2</sub>/Fe<sup>3+</sup>) were tested for inactivation of wild isolated K. pneumoniae and compared to UV-C radiation. B

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Terenziani, Francesca, Anna Painelli, Olivier Mongin, et al. "Addressing Charge-Transfer and Locally-Excited States in aTwisted Biphenyl Push-Pull Chromophore." September 11, 2019. https://doi.org/10.1002/cphc.201900703.

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We present the synthesis and spectroscopic characterization of twisted push–pull biphenyl molecule undergoing photo- induced electron transfer. Steady-state and transient absorption spectra suggest, in this rigid molecular structure, a subtle interplay between locally-excited and charge-transfer states, whose equilibrium and dynamics is only driven by solvation. A theoretical model is presented for the solvation dynamics and, with the support of quantum chemical calculations, we demonstrate the existence of two sets of states, having either lo

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16

Boucherit, Nabila, Salah Hanini, Abdellah Ibrir, Maamar Laidi, and Mohamed Roubehie-Fissa. "Removal of Chlortetracycline Chlorhydrate by Photo-Fenton Process: Experimental Study and ANN Modelling." Kemija u industriji, no. 11-12 (November 16, 2023). http://dx.doi.org/10.15255/kui.2023.004.

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