TY  - JOUR
AU  - Tomić, Aleksandra
AU  - Pomeroy, Brett
AU  - Todić, Branislav
AU  - Likozar, Blaž
AU  - Nikačević, Nikola
PY  - 2024-07
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7452
AB  - The implementation of the liquid organic hydrogen carrier (LOHC) technology for efficient energy storage requires the development of a reliable kinetic model for both hydrogenation and dehydrogenation processes. In this research study, the catalytic hydrocarbon saturation for a dibenzyltoluene (DBT) mixture solution, containing dibenzylbenzene (DBB), dibenzylethylbenzene (DBEB) and impurities has been performed in the presence of Ru/Al2O3 particles. The influence of different reaction conditions, such as temperature, pressure, initial reactant concentration, catalyst amount and stirring speed has been examined. A measurement-based system micro-kinetics, based on the Langmuir–Hinshelwood mechanism with dissociative H2 surface adsorption, has been derived. H2 thermodynamic solubility equilibrium was defined through Henry's law. The adsorbing, desorption and reactivity of inert solvent molecules was not considered to be relevant. The mass transfer resistance over 1000 rpm stirring speed was negligible. Relative- and mean squared error of representation were 40.9% and 1.00×10−4, respectively. Expressions gave an excellent data prediction for the profile period trends with a relatively accurate estimation of H2 intermediates' rate selectivity, H2-covered area approximation and pathway rate-determining steps. Due to the lack of commercially available standard chemical compounds for quantitative analysis techniques, a novel experiment-based numerical calibration method was developed. Mean field (micro)kinetics represent an advancement in the mesoscale mechanistic understanding of physical interface phenomena. This also enables catalysis structure–activity relationships, unlocking the methodology for new LOHC reaching beyond traditional, such as ammonia, methanol and formate, which do not release H2 alone. Integrated multiscale simulations could include fluidics later on.
PB  - Elsevier Ltd.
T2  - Applied Energy
T1  - Catalytic hydrogenation reaction micro-kinetic model for dibenzyltoluene as liquid organic hydrogen carrier
SP  - 123262
VL  - 365
DO  - 10.1016/j.apenergy.2024.123262
ER  - 

@article{
author = "Tomić, Aleksandra and Pomeroy, Brett and Todić, Branislav and Likozar, Blaž and Nikačević, Nikola",
year = "2024-07",
abstract = "The implementation of the liquid organic hydrogen carrier (LOHC) technology for efficient energy storage requires the development of a reliable kinetic model for both hydrogenation and dehydrogenation processes. In this research study, the catalytic hydrocarbon saturation for a dibenzyltoluene (DBT) mixture solution, containing dibenzylbenzene (DBB), dibenzylethylbenzene (DBEB) and impurities has been performed in the presence of Ru/Al2O3 particles. The influence of different reaction conditions, such as temperature, pressure, initial reactant concentration, catalyst amount and stirring speed has been examined. A measurement-based system micro-kinetics, based on the Langmuir–Hinshelwood mechanism with dissociative H2 surface adsorption, has been derived. H2 thermodynamic solubility equilibrium was defined through Henry's law. The adsorbing, desorption and reactivity of inert solvent molecules was not considered to be relevant. The mass transfer resistance over 1000 rpm stirring speed was negligible. Relative- and mean squared error of representation were 40.9% and 1.00×10−4, respectively. Expressions gave an excellent data prediction for the profile period trends with a relatively accurate estimation of H2 intermediates' rate selectivity, H2-covered area approximation and pathway rate-determining steps. Due to the lack of commercially available standard chemical compounds for quantitative analysis techniques, a novel experiment-based numerical calibration method was developed. Mean field (micro)kinetics represent an advancement in the mesoscale mechanistic understanding of physical interface phenomena. This also enables catalysis structure–activity relationships, unlocking the methodology for new LOHC reaching beyond traditional, such as ammonia, methanol and formate, which do not release H2 alone. Integrated multiscale simulations could include fluidics later on.",
publisher = "Elsevier Ltd.",
journal = "Applied Energy",
title = "Catalytic hydrogenation reaction micro-kinetic model for dibenzyltoluene as liquid organic hydrogen carrier",
pages = "123262",
volume = "365",
doi = "10.1016/j.apenergy.2024.123262"
}

Tomić, A., Pomeroy, B., Todić, B., Likozar, B.,& Nikačević, N.. (2024-07). Catalytic hydrogenation reaction micro-kinetic model for dibenzyltoluene as liquid organic hydrogen carrier. in Applied Energy
Elsevier Ltd.., 365, 123262.
https://doi.org/10.1016/j.apenergy.2024.123262

Tomić A, Pomeroy B, Todić B, Likozar B, Nikačević N. Catalytic hydrogenation reaction micro-kinetic model for dibenzyltoluene as liquid organic hydrogen carrier. in Applied Energy. 2024;365:123262.
doi:10.1016/j.apenergy.2024.123262 .

Tomić, Aleksandra, Pomeroy, Brett, Todić, Branislav, Likozar, Blaž, Nikačević, Nikola, "Catalytic hydrogenation reaction micro-kinetic model for dibenzyltoluene as liquid organic hydrogen carrier" in Applied Energy, 365 (2024-07):123262,
https://doi.org/10.1016/j.apenergy.2024.123262 . .

TY  - CONF
AU  - Savić, Sanja
AU  - Pantić, Olga
AU  - Vicente, Filipa A.
AU  - Novak, Uroš
AU  - Likozar, Blaž
AU  - Panić, Vesna
AU  - Marković, Maja
AU  - Spasojević, Pavle
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6861
AB  - Fruits are the most utilized commodities among all horticultural crops. They are consumed raw, minimally processed, due to their nutrients and health-promoting compounds. With the growing population and changing diet habits, the production and processing of fruits, have increased very significantly to fulfil the increasing demands. Significant losses and waste in the fresh and processing industries are becoming a serious nutritional, economical, and environmental problem. The fruit waste is composed mainly of seed, skin, rind, and pomace, containing good sources of potentially valuable bioactive compounds. The apple pomace is rich in pectic substances and represents important raw material for pectin production all around the world. For example, the portion of residual apple pomace makes about 13 % of the total waste material and on the basis of dry mass, it contains 10–15% pectin. Currently, it is either used for animal feeding or is disposed of as an industrial waste. The extraction of pectin is usually performed using mineral acids, yielding a reasonable quantity of product while also saving time in the process. Even though pectin has various applications in the food manufacturing industry, consumers have a negative perception upon learning that strong acids are used in pectin extraction. Furthermore, high acidity speeds up corrosion and rust formation of the apparatus, leading to water pollution which contributes to environmental concerns.
The present study reports the lab-scale procedure for extraction of pectin from the waste industrial apple pomace using deep eutectic solvents (DESs) as extraction medium. DESs turned to be an excellent choice for extraction because they are non-volatile at room temperature and non-toxic, while the majority of DESs are water-miscible depending on their components. The process consisted of the processing of apples, employing milling, enzymatic digestion and pressing. The further analysis included temperature and ultrasound assisted extraction and purification of pectin as well as the detailed physicochemical analysis of the obtained product. The applied procedure has resulted in satisfactory yields under mild extraction conditions, optimal extraction time and industrially preferred properties of the isolated pectin.
PB  - Ljubljana : National Institute of Chemistry, Department of Catalysis and Chemical Reaction Engineering
C3  - Book of Abstracts / Next Challenges of Biorefineries, 3rd BioSPRINT Workshop 2nd Bilateral Workshop Portugal, Slovenia, June 14-15, 2023
T1  - Deep eutectic solvents mediated extraction of pectin from apple pomace: Optimization and characterization studies
SP  - 25
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6861
ER  - 

@conference{
author = "Savić, Sanja and Pantić, Olga and Vicente, Filipa A. and Novak, Uroš and Likozar, Blaž and Panić, Vesna and Marković, Maja and Spasojević, Pavle",
year = "2023",
abstract = "Fruits are the most utilized commodities among all horticultural crops. They are consumed raw, minimally processed, due to their nutrients and health-promoting compounds. With the growing population and changing diet habits, the production and processing of fruits, have increased very significantly to fulfil the increasing demands. Significant losses and waste in the fresh and processing industries are becoming a serious nutritional, economical, and environmental problem. The fruit waste is composed mainly of seed, skin, rind, and pomace, containing good sources of potentially valuable bioactive compounds. The apple pomace is rich in pectic substances and represents important raw material for pectin production all around the world. For example, the portion of residual apple pomace makes about 13 % of the total waste material and on the basis of dry mass, it contains 10–15% pectin. Currently, it is either used for animal feeding or is disposed of as an industrial waste. The extraction of pectin is usually performed using mineral acids, yielding a reasonable quantity of product while also saving time in the process. Even though pectin has various applications in the food manufacturing industry, consumers have a negative perception upon learning that strong acids are used in pectin extraction. Furthermore, high acidity speeds up corrosion and rust formation of the apparatus, leading to water pollution which contributes to environmental concerns.
The present study reports the lab-scale procedure for extraction of pectin from the waste industrial apple pomace using deep eutectic solvents (DESs) as extraction medium. DESs turned to be an excellent choice for extraction because they are non-volatile at room temperature and non-toxic, while the majority of DESs are water-miscible depending on their components. The process consisted of the processing of apples, employing milling, enzymatic digestion and pressing. The further analysis included temperature and ultrasound assisted extraction and purification of pectin as well as the detailed physicochemical analysis of the obtained product. The applied procedure has resulted in satisfactory yields under mild extraction conditions, optimal extraction time and industrially preferred properties of the isolated pectin.",
publisher = "Ljubljana : National Institute of Chemistry, Department of Catalysis and Chemical Reaction Engineering",
journal = "Book of Abstracts / Next Challenges of Biorefineries, 3rd BioSPRINT Workshop 2nd Bilateral Workshop Portugal, Slovenia, June 14-15, 2023",
title = "Deep eutectic solvents mediated extraction of pectin from apple pomace: Optimization and characterization studies",
pages = "25",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6861"
}

Savić, S., Pantić, O., Vicente, F. A., Novak, U., Likozar, B., Panić, V., Marković, M.,& Spasojević, P.. (2023). Deep eutectic solvents mediated extraction of pectin from apple pomace: Optimization and characterization studies. in Book of Abstracts / Next Challenges of Biorefineries, 3rd BioSPRINT Workshop 2nd Bilateral Workshop Portugal, Slovenia, June 14-15, 2023
Ljubljana : National Institute of Chemistry, Department of Catalysis and Chemical Reaction Engineering., 25.
https://hdl.handle.net/21.15107/rcub_technorep_6861

Savić S, Pantić O, Vicente FA, Novak U, Likozar B, Panić V, Marković M, Spasojević P. Deep eutectic solvents mediated extraction of pectin from apple pomace: Optimization and characterization studies. in Book of Abstracts / Next Challenges of Biorefineries, 3rd BioSPRINT Workshop 2nd Bilateral Workshop Portugal, Slovenia, June 14-15, 2023. 2023;:25.
https://hdl.handle.net/21.15107/rcub_technorep_6861 .

Savić, Sanja, Pantić, Olga, Vicente, Filipa A., Novak, Uroš, Likozar, Blaž, Panić, Vesna, Marković, Maja, Spasojević, Pavle, "Deep eutectic solvents mediated extraction of pectin from apple pomace: Optimization and characterization studies" in Book of Abstracts / Next Challenges of Biorefineries, 3rd BioSPRINT Workshop 2nd Bilateral Workshop Portugal, Slovenia, June 14-15, 2023 (2023):25,
https://hdl.handle.net/21.15107/rcub_technorep_6861 .

TY  - JOUR
AU  - Rakić, Emilija
AU  - Kostyniuk, Andrii
AU  - Nikačević, Nikola
AU  - Likozar, Blaž
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6730
AB  - In recent decades, there has been a growing interest in bio-refineries as a crucial element in transitioning to a low-carbon economy. One specific aspect of this interest is the conversion of carbohydrates into separate platform chemicals, such as furfural (FUR), which play a significant functional role in various daily life processes. This research paper focuses on investigating the use of a H-beta catalyst with SiO2/Al2O3 = 28 for producing furfural from xylose in water. Various conditions, such as temperature and initial solution concentration, are studied to determine their effect on FUR yield. The highest FUR yield (40 mol.%) is obtained when FUR is the only product species. We also report that about 90% yield from reaction with fresh catalyst can be achieved after catalyst regeneration. The activation energies for the reaction on the catalyst surface are found to be in the range of 38–75 kJ/mol. A mathematical kinetic model with three irreversible steps is derived to estimate the reaction sequence at 160, 180, and 200 °C. The model takes into account mechanisms such as adsorption, desorption, and transport (internal or external). Our results suggest that the H-beta catalyst shows high activity toward FUR yield and could be a promising alternative for mass-scale production of the latter.
PB  - Springer Science and Business Media Deutschland GmbH
T2  - Biomass Conversion and Biorefinery
T1  - Reaction microkinetic model of xylose dehydration to furfural over beta zeolite catalyst
DO  - 10.1007/s13399-023-04969-1
ER  - 

@article{
author = "Rakić, Emilija and Kostyniuk, Andrii and Nikačević, Nikola and Likozar, Blaž",
year = "2023",
abstract = "In recent decades, there has been a growing interest in bio-refineries as a crucial element in transitioning to a low-carbon economy. One specific aspect of this interest is the conversion of carbohydrates into separate platform chemicals, such as furfural (FUR), which play a significant functional role in various daily life processes. This research paper focuses on investigating the use of a H-beta catalyst with SiO2/Al2O3 = 28 for producing furfural from xylose in water. Various conditions, such as temperature and initial solution concentration, are studied to determine their effect on FUR yield. The highest FUR yield (40 mol.%) is obtained when FUR is the only product species. We also report that about 90% yield from reaction with fresh catalyst can be achieved after catalyst regeneration. The activation energies for the reaction on the catalyst surface are found to be in the range of 38–75 kJ/mol. A mathematical kinetic model with three irreversible steps is derived to estimate the reaction sequence at 160, 180, and 200 °C. The model takes into account mechanisms such as adsorption, desorption, and transport (internal or external). Our results suggest that the H-beta catalyst shows high activity toward FUR yield and could be a promising alternative for mass-scale production of the latter.",
publisher = "Springer Science and Business Media Deutschland GmbH",
journal = "Biomass Conversion and Biorefinery",
title = "Reaction microkinetic model of xylose dehydration to furfural over beta zeolite catalyst",
doi = "10.1007/s13399-023-04969-1"
}

Rakić, E., Kostyniuk, A., Nikačević, N.,& Likozar, B.. (2023). Reaction microkinetic model of xylose dehydration to furfural over beta zeolite catalyst. in Biomass Conversion and Biorefinery
Springer Science and Business Media Deutschland GmbH..
https://doi.org/10.1007/s13399-023-04969-1

Rakić E, Kostyniuk A, Nikačević N, Likozar B. Reaction microkinetic model of xylose dehydration to furfural over beta zeolite catalyst. in Biomass Conversion and Biorefinery. 2023;.
doi:10.1007/s13399-023-04969-1 .

Rakić, Emilija, Kostyniuk, Andrii, Nikačević, Nikola, Likozar, Blaž, "Reaction microkinetic model of xylose dehydration to furfural over beta zeolite catalyst" in Biomass Conversion and Biorefinery (2023),
https://doi.org/10.1007/s13399-023-04969-1 . .