Overview of Catalysts with MIRA21 Model in Heterogeneous Catalytic Hydrogenation of 2,4-Dinitrotoluene

Jakab-Nácsa, Alexandra; Hajdu, Viktória; Vanyorek, László; Farkas, László; Viskolcz, Béla

doi:10.3390/catal13020387

Cited by 3 publications

(10 citation statements)

References 39 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The palladium content of the fresh catalyst was 1.61 wt%, which did not show a significant decrease after multiple cycles (1.60 wt%). Based on the results of the reuse tests and ICP measurements, it can be stated that the developed catalyst is stable, owing to the strong interaction between the noble metal and its support 11 – 14 , 21 , 36 .…”

Section: Resultsmentioning

confidence: 99%

“…The developed Pd/CoFe 2 O 4 bentonite-based catalyst was compared to 14 other systems 11 , 12 , 12 , 13 , 36 applied in DNT hydrogenation by using the MIRA21 model 14 . It was found that the bentonite-based catalyst has a MIRA21 number of 11.09, which is just slightly lower than the best (11.50) and ranks as 8th within the list of 15 catalysts (see Supplementary Information).…”

Section: Resultsmentioning

confidence: 99%

“…TDA is produced industrially using catalysts by hydrogenation of dinitrotoluene isomers 9 . The catalysts used are mainly transition metals or their compounds on various usually carbon-based supports 10 – 14 .…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Bentonite as eco-friendly natural mineral support for Pd/CoFe2O4 catalyst applied in toluene diamine synthesis

Hatvani-Nagy,

Hajdu,

Ilosvai

et al. 2024

Sci Rep

Self Cite

View full text Add to dashboard Cite

Toluene diamine (TDA) is a major raw material in the polyurethane industry and thus, its production is highly important. TDA is obtained through the catalytic hydrogenation of 2,4-dinitrotoluene (2,4-DNT). In this study a special hydrogenation catalyst has been developed by decomposition cobalt ferrite nanoparticles onto a natural clay-oxide nanocomposite (bentonite) surface using a microwave-assisted solvothermal method. The catalyst particles were examined by TEM and X-ray diffraction. The palladium immobilized on the bentonite crystal surface was identified using an XRD and HRTEM device. The obtained catalyst possesses the advantageous property of being easily separable due to its magnetizability on a natural mineral support largely available and obtained through low carbon- and energy footprint methods. The catalyst demonstrated outstanding performance with a 2,4-DNT conversion rate exceeding 99% along with high yields and selectivity towards 2,4-TDA and all of this achieved within a short reaction time. Furthermore, the developed catalyst exhibited excellent stability, attributed to the strong interaction between the catalytically active metal and its support. Even after four cycles of reuse, the catalytic activity remained unaffected and the Pd content of the catalyst did not change, which indicates that the palladium component remained firmly attached to the magnetic support's surface.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Bentonite as eco-friendly natural mineral support for Pd/CoFe2O4 catalyst applied in toluene diamine synthesis

Hatvani-Nagy,

Hajdu,

Ilosvai

et al. 2024

Sci Rep

Self Cite

View full text Add to dashboard Cite

show abstract

“…The MIRA21 (MIskolc RAnking 21) model has been established for the characterization, comparison, and ranking of catalysts with a mathematical model that is based on a descriptor system [19]. In our previous work, hydrogenation reactions of nitrobenzene and 2,4-dinitrotoluene were examined based on four groups of parameters such as catalyst performance, reaction conditions, catalyst conditions, and sustainability parameters [20]. The setting of the parameter set was compiled based on the information available in various scientific publications.…”

Section: Introductionmentioning

confidence: 99%

“…Exploratory data analysis of the literature data of 2,4-dinitrotoluene hydrogenation catalysts was carried out. Based on the MIRA21 model, data was extracted from scientific articles and converted into a catalyst library [20]. Descriptive and statistical analysis provides an opportunity to study the MIRA21 model descriptor system and the correlations between catalyst physicochemical properties and catalyst performance parameters such as conversion and selectivity.…”

Section: Introductionmentioning

confidence: 99%

Towards Machine Learning in Heterogeneous Catalysis—A Case Study of 2,4-Dinitrotoluene Hydrogenation

Jakab-Nácsa

Garami

Fiser

et al. 2023

IJMS

Self Cite

View full text Add to dashboard Cite

Utilization of multivariate data analysis in catalysis research has extraordinary importance. The aim of the MIRA21 (MIskolc RAnking 21) model is to characterize heterogeneous catalysts with bias-free quantifiable data from 15 different variables to standardize catalyst characterization and provide an easy tool to compare, rank, and classify catalysts. The present work introduces and mathematically validates the MIRA21 model by identifying fundamentals affecting catalyst comparison and provides support for catalyst design. Literature data of 2,4-dinitrotoluene hydrogenation catalysts for toluene diamine synthesis were analyzed by using the descriptor system of MIRA21. In this study, exploratory data analysis (EDA) has been used to understand the relationships between individual variables such as catalyst performance, reaction conditions, catalyst compositions, and sustainable parameters. The results will be applicable in catalyst design, and using machine learning tools will also be possible.

show abstract

Nickel ferrite decorated noble metal containing nitrogen-doped carbon nanotubes as potential magnetic separable catalyst for dinitrotoluene hydrogenation

Hajdu,

Sikora,

Muránszky

et al. 2024

Sci Rep

Self Cite

View full text Add to dashboard Cite

The 2,4-toluenediamine (TDA) is one of the most important chemicals in the polyurethane industry, produced by the catalytic hydrogenation of 2,4-dinitrotoluene (DNT). The development of novel catalysts that can be easily recovered from the reaction mixture is of paramount importance. In our work, a NiFe2O4/N-BCNT supported magnetic catalyst was prepared by a modified coprecipitation method. The catalyst support alone also showed activity in the synthesis of TDA. Platinum nanoparticles were deposited on the catalyst support surface by a fast, relatively simple, and efficient sonochemical method, resulting in a readily applicable catalytically active system. The prepared catalyst exhibited high activity in hydrogenation tests, which was proved by the exceptionally high DNT conversion (100% for 120 min at 333 K) and TDA yield (99%). Furthermore, the magnetic catalyst can be easily recovered from the reaction medium by the action of an external magnetic field, which can greatly reduce catalyst loss during separation.

show abstract

Overview of Catalysts with MIRA21 Model in Heterogeneous Catalytic Hydrogenation of 2,4-Dinitrotoluene

Cited by 3 publications

References 39 publications

Bentonite as eco-friendly natural mineral support for Pd/CoFe2O4 catalyst applied in toluene diamine synthesis

Bentonite as eco-friendly natural mineral support for Pd/CoFe2O4 catalyst applied in toluene diamine synthesis

Towards Machine Learning in Heterogeneous Catalysis—A Case Study of 2,4-Dinitrotoluene Hydrogenation

Nickel ferrite decorated noble metal containing nitrogen-doped carbon nanotubes as potential magnetic separable catalyst for dinitrotoluene hydrogenation

Contact Info

Product

Resources

About