TY  - JOUR
AU  - Pavlović, Marko
AU  - Lubura, Jelena
AU  - Pezo, Lato
AU  - Pezo, Milada
AU  - Bera, Oskar
AU  - Kojić, Predrag
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11220
AB  - The purpose of the study was to identify and predict the optimized parameters for phosphoric acid production. This involved modeling the crystal reactor, UCEGO filter (as a detailed model of the filter is not available in Aspen Plus or other simulation software), and acid separator using Sci-Lab to develop Cape-Open models. The simulation was conducted using Aspen Plus and involved analyzing 10 different phosphates with varying qualities and fractions of P2O5 and other minerals. After a successful simulation, a sensitivity analysis was conducted by varying parameters such as capacity, filter speed, vacuum, particle size, water temperature for washing the filtration cake, flow of recycled acid and strong acid from the separator below the filter, flow of slurry to reactor 1, temperature in reactors, and flow of H2SO4, resulting in nearly one million combinations. To create an algorithm for predicting process parameters and the maximal extent of recovering H3PO4 from slurry, ANN models were developed with a determination coefficient of 99%. Multi-objective optimization was then performed using a genetic algorithm to find the most suitable parameters that would lead to a higher reaction degree (96–97%) and quantity of separated H3PO4 and lower losses of gypsum. The results indicated that it is possible to predict the influence of process parameters on the quality of produced acid and minimize losses during production. The developed model was confirmed to be viable when compared to results found in the literature.
T2  - Processes
T1  - A Novel Hybrid Approach for Modeling and Optimisation of Phosphoric Acid Production through the Integration of AspenTech, SciLab Unit Operation, Artificial Neural Networks and Genetic Algorithm
VL  - 11
IS  - 6
SP  - 1753
DO  - 10.3390/pr11061753
ER  - 

@article{
author = "Pavlović, Marko and Lubura, Jelena and Pezo, Lato and Pezo, Milada and Bera, Oskar and Kojić, Predrag",
year = "2023",
abstract = "The purpose of the study was to identify and predict the optimized parameters for phosphoric acid production. This involved modeling the crystal reactor, UCEGO filter (as a detailed model of the filter is not available in Aspen Plus or other simulation software), and acid separator using Sci-Lab to develop Cape-Open models. The simulation was conducted using Aspen Plus and involved analyzing 10 different phosphates with varying qualities and fractions of P2O5 and other minerals. After a successful simulation, a sensitivity analysis was conducted by varying parameters such as capacity, filter speed, vacuum, particle size, water temperature for washing the filtration cake, flow of recycled acid and strong acid from the separator below the filter, flow of slurry to reactor 1, temperature in reactors, and flow of H2SO4, resulting in nearly one million combinations. To create an algorithm for predicting process parameters and the maximal extent of recovering H3PO4 from slurry, ANN models were developed with a determination coefficient of 99%. Multi-objective optimization was then performed using a genetic algorithm to find the most suitable parameters that would lead to a higher reaction degree (96–97%) and quantity of separated H3PO4 and lower losses of gypsum. The results indicated that it is possible to predict the influence of process parameters on the quality of produced acid and minimize losses during production. The developed model was confirmed to be viable when compared to results found in the literature.",
journal = "Processes",
title = "A Novel Hybrid Approach for Modeling and Optimisation of Phosphoric Acid Production through the Integration of AspenTech, SciLab Unit Operation, Artificial Neural Networks and Genetic Algorithm",
volume = "11",
number = "6",
pages = "1753",
doi = "10.3390/pr11061753"
}

Pavlović, M., Lubura, J., Pezo, L., Pezo, M., Bera, O.,& Kojić, P.. (2023). A Novel Hybrid Approach for Modeling and Optimisation of Phosphoric Acid Production through the Integration of AspenTech, SciLab Unit Operation, Artificial Neural Networks and Genetic Algorithm. in Processes, 11(6), 1753.
https://doi.org/10.3390/pr11061753

Pavlović M, Lubura J, Pezo L, Pezo M, Bera O, Kojić P. A Novel Hybrid Approach for Modeling and Optimisation of Phosphoric Acid Production through the Integration of AspenTech, SciLab Unit Operation, Artificial Neural Networks and Genetic Algorithm. in Processes. 2023;11(6):1753.
doi:10.3390/pr11061753 .

Pavlović, Marko, Lubura, Jelena, Pezo, Lato, Pezo, Milada, Bera, Oskar, Kojić, Predrag, "A Novel Hybrid Approach for Modeling and Optimisation of Phosphoric Acid Production through the Integration of AspenTech, SciLab Unit Operation, Artificial Neural Networks and Genetic Algorithm" in Processes, 11, no. 6 (2023):1753,
https://doi.org/10.3390/pr11061753 . .

TY  - JOUR
AU  - Hollo, Berta
AU  - Rodić, Marko V.
AU  - Bera, Oskar
AU  - Jovicic, Mirjana
AU  - Leovac, Vukadin M.
AU  - Tomić, Zoran D.
AU  - Szecsenyi, Katalin Meszaros
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5791
AB  - The crystal and molecular structure of [Cu(ampf)(ClO4)(MeOH)(2)]ClO4, (1), ampf = N, N-bis(4-acetyl-5-methylpyrazol-3-yl)formamidine, determined by X-ray crystallography is described and compared with the structurally related copper(II) complexes, formed under similar experimental conditions, using Cu-II salts with different anions. The complex formation is discussed in view of the structures of cobalt(II) and nickel(II) complexes with the same organic ligand and different anions, also formed under similar reaction conditions. Solvent molecules coordinated to the central atom play an important role in biologic systems. To get a better insight into the desolvation mechanism, in this study the desolvation pattern of 1 is presented. As in literature little attention is paid to the desolvation mechanism of solvate complexes, the desolvation mechanism of three, potentially biologically active isostructural pairs of octahedral Ni-II and Co-II compounds with ampf and dmpc (3,5-dimethyl-1H-pyrazole-1-carboxamidine) ligands are evaluated and compared with the desolvation of 1. The results of the thermal data are discussed on the basis of structural features of the compounds. The minor differences in structures of the related compounds cannot be straightforwardly connected with the different solvent evaporation mechanism. To explain the differences found in desolvation pattern in isostructural Co-II and Ni-II complexes the Jahn-Teller effect is proposed.
T2  - Structural Chemistry
T1  - Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?
VL  - 24
IS  - 6
SP  - 2193
EP  - 2201
DO  - 10.1007/s11224-013-0270-9
ER  - 

@article{
author = "Hollo, Berta and Rodić, Marko V. and Bera, Oskar and Jovicic, Mirjana and Leovac, Vukadin M. and Tomić, Zoran D. and Szecsenyi, Katalin Meszaros",
year = "2013",
abstract = "The crystal and molecular structure of [Cu(ampf)(ClO4)(MeOH)(2)]ClO4, (1), ampf = N, N-bis(4-acetyl-5-methylpyrazol-3-yl)formamidine, determined by X-ray crystallography is described and compared with the structurally related copper(II) complexes, formed under similar experimental conditions, using Cu-II salts with different anions. The complex formation is discussed in view of the structures of cobalt(II) and nickel(II) complexes with the same organic ligand and different anions, also formed under similar reaction conditions. Solvent molecules coordinated to the central atom play an important role in biologic systems. To get a better insight into the desolvation mechanism, in this study the desolvation pattern of 1 is presented. As in literature little attention is paid to the desolvation mechanism of solvate complexes, the desolvation mechanism of three, potentially biologically active isostructural pairs of octahedral Ni-II and Co-II compounds with ampf and dmpc (3,5-dimethyl-1H-pyrazole-1-carboxamidine) ligands are evaluated and compared with the desolvation of 1. The results of the thermal data are discussed on the basis of structural features of the compounds. The minor differences in structures of the related compounds cannot be straightforwardly connected with the different solvent evaporation mechanism. To explain the differences found in desolvation pattern in isostructural Co-II and Ni-II complexes the Jahn-Teller effect is proposed.",
journal = "Structural Chemistry",
title = "Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?",
volume = "24",
number = "6",
pages = "2193-2201",
doi = "10.1007/s11224-013-0270-9"
}

Hollo, B., Rodić, M. V., Bera, O., Jovicic, M., Leovac, V. M., Tomić, Z. D.,& Szecsenyi, K. M.. (2013). Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?. in Structural Chemistry, 24(6), 2193-2201.
https://doi.org/10.1007/s11224-013-0270-9

Hollo B, Rodić MV, Bera O, Jovicic M, Leovac VM, Tomić ZD, Szecsenyi KM. Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?. in Structural Chemistry. 2013;24(6):2193-2201.
doi:10.1007/s11224-013-0270-9 .

Hollo, Berta, Rodić, Marko V., Bera, Oskar, Jovicic, Mirjana, Leovac, Vukadin M., Tomić, Zoran D., Szecsenyi, Katalin Meszaros, "Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?" in Structural Chemistry, 24, no. 6 (2013):2193-2201,
https://doi.org/10.1007/s11224-013-0270-9 . .