Pub Date : 2023-05-04DOI: 10.15826/chimtech.2023.10.2.11
E. Nosova, I. Butorin, M. D. Likhacheva, S. Kotovskaya
2-Phenyl-6,7-difluoro and 2-(4-fluorophenyl)quinazoline derivatives bearing salicylidenhydrazino fragments at position 4 were prepared based on 4,5-difluoroantranilic acid or anthranilamide. Molecular docking to casein kinase 2 was performed; compounds with high in silico activity to CK2 were revealed. Cytotoxic activity of the synthesized compounds was studied on cancer cell line MDA-MB-231 and normal cell line WI26 VA4.
{"title":"Synthesis and cytotoxic activity of (2-arylquinazolin-4-yl)hydrazones of 2-hydroxybenzaldehydes","authors":"E. Nosova, I. Butorin, M. D. Likhacheva, S. Kotovskaya","doi":"10.15826/chimtech.2023.10.2.11","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.11","url":null,"abstract":"2-Phenyl-6,7-difluoro and 2-(4-fluorophenyl)quinazoline derivatives bearing salicylidenhydrazino fragments at position 4 were prepared based on 4,5-difluoroantranilic acid or anthranilamide. Molecular docking to casein kinase 2 was performed; compounds with high in silico activity to CK2 were revealed. Cytotoxic activity of the synthesized compounds was studied on cancer cell line MDA-MB-231 and normal cell line WI26 VA4.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42836966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-28DOI: 10.15826/chimtech.2023.10.2.10
Y. Yarkaeva, Daria A. Dymova, Marat I. Nazyrov, L. Zagitova, V. Maistrenko
For the selective detection of the antibiotic lincomycin, we developed a voltammetric sensor based on a glassy carbon electrode modified with reduced graphene oxide and polyarylenephthalide containing diphenylenethio and diphenyleneoxide fragments in the main chain of the polymer in the 1:1 ratio with lincomycin molecular imprints obtained by phase inversion. Using FTIR spectroscopy, electrochemical impedance spectroscopy, cyclic and differential-pulse voltammetry, the electrochemical and analytical characteristics of the sensor were studied. The detection of lincomycin was carried out by differential pulse voltammetry. The linear concentration range was 2.5·10–7–5·10–4 M with a limit of detection of 6.8·10–8 M. It was shown that the presence of molecular imprints increases the sensitivity of the developed sensor in comparisons with a sensor with non-imprinted polymer by a factor of 3.05.
{"title":"Voltammetric sensor based on molecular imprinted polymer for lincomycin determination","authors":"Y. Yarkaeva, Daria A. Dymova, Marat I. Nazyrov, L. Zagitova, V. Maistrenko","doi":"10.15826/chimtech.2023.10.2.10","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.10","url":null,"abstract":"For the selective detection of the antibiotic lincomycin, we developed a voltammetric sensor based on a glassy carbon electrode modified with reduced graphene oxide and polyarylenephthalide containing diphenylenethio and diphenyleneoxide fragments in the main chain of the polymer in the 1:1 ratio with lincomycin molecular imprints obtained by phase inversion. Using FTIR spectroscopy, electrochemical impedance spectroscopy, cyclic and differential-pulse voltammetry, the electrochemical and analytical characteristics of the sensor were studied. The detection of lincomycin was carried out by differential pulse voltammetry. The linear concentration range was 2.5·10–7–5·10–4 M with a limit of detection of 6.8·10–8 M. It was shown that the presence of molecular imprints increases the sensitivity of the developed sensor in comparisons with a sensor with non-imprinted polymer by a factor of 3.05.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47604880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-28DOI: 10.15826/chimtech.2023.10.2.09
Zoubir Kabouche, Y. Belhocine, T. Benlecheb, Ibtissem Meriem Assaba, A. Litim, Rabab Lalalou, Asma Mechhoud
Density functional theory (DFT) calculations based on the BLYP-D4 and PBEh-3c composite methods were performed for investigating the encapsulation mode of pentachlorophenol (PCP) inside the cavity of β-cyclodextrin (β-CD). Different quantum chemical parameters such as HOMO, LUMO, and HOMO–LUMO gap were calculated. Complexation energies were computed at the molecular level to provide insight into the inclusion of PCP inside the β-CD cavity. The Independent gradient model (IGM) approach was applied to characterize the non-covalent interactions that occurred during the complex (PCP@β-CD) formation. Two modes of inclusion were considered in this work (modes A and B). Calculated complexation energies as well as the changes in enthalpy, entropy, and free Gibbs energy exhibit negative values for both modes A and B, indicating a thermodynamically favorable process. Weak Van der Waals interactions and one strong intermolecular hydrogen bond act as the main driving forces behind the stabilization of the formed most stable complex. This study was carried out to explore the potential use of the β-CD as a host macrocycle for sensing and capturing pentachlorophenol.
{"title":"A DFT-D4 investigation of the complexation phenomenon between pentachlorophenol and β-cyclodextrin","authors":"Zoubir Kabouche, Y. Belhocine, T. Benlecheb, Ibtissem Meriem Assaba, A. Litim, Rabab Lalalou, Asma Mechhoud","doi":"10.15826/chimtech.2023.10.2.09","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.09","url":null,"abstract":"Density functional theory (DFT) calculations based on the BLYP-D4 and PBEh-3c composite methods were performed for investigating the encapsulation mode of pentachlorophenol (PCP) inside the cavity of β-cyclodextrin (β-CD). Different quantum chemical parameters such as HOMO, LUMO, and HOMO–LUMO gap were calculated. Complexation energies were computed at the molecular level to provide insight into the inclusion of PCP inside the β-CD cavity. The Independent gradient model (IGM) approach was applied to characterize the non-covalent interactions that occurred during the complex (PCP@β-CD) formation. Two modes of inclusion were considered in this work (modes A and B). Calculated complexation energies as well as the changes in enthalpy, entropy, and free Gibbs energy exhibit negative values for both modes A and B, indicating a thermodynamically favorable process. Weak Van der Waals interactions and one strong intermolecular hydrogen bond act as the main driving forces behind the stabilization of the formed most stable complex. This study was carried out to explore the potential use of the β-CD as a host macrocycle for sensing and capturing pentachlorophenol.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43856048","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-24DOI: 10.15826/chimtech.2023.10.2.08
P. P. Mukhacheva, Yuliya V. Vatutina, I. Mik, K. Nadeina, M. O. Kazakov, O. P. Klenov, O. Klimov, A. Noskov
The main idea of the investigation was to define testing parameters with the lowest influence of internal and external diffusion on catalytic activity in hydrodesulfurization of dibenzothiophene. Traditional experimental methods were used to determine the conditions for the influence of internal and external diffusion. Simultaneous change of a linear feedstock rate and a catalyst loading at constant weight hour space velocity were used to determine the process temperature (240–260 °C) at which the impact of external diffusion is minimal. Catalytic tests, including the variation of the catalyst fraction size, were carried out to define the conditions with the lowest influence of internal diffusion. It was found that when the catalyst with the fraction size of 0.1–0.25 mm was used, the fluctuation of sulfur conversion was the smallest. Besides, to validate experimental results, the calculations were performed with mass balance equations and expressions used for HDS modeling. The resulting data and catalytic experiments demonstrated that the lowest influence of internal and external diffusion is achieved at a temperature process less than 260 °C and a catalyst fraction of 0.1–0.25 mm.
{"title":"Testing conditions for CoMo HDS catalyst in the kinetic region: integrated approach using the math calculations and catalytic experiments","authors":"P. P. Mukhacheva, Yuliya V. Vatutina, I. Mik, K. Nadeina, M. O. Kazakov, O. P. Klenov, O. Klimov, A. Noskov","doi":"10.15826/chimtech.2023.10.2.08","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.08","url":null,"abstract":"The main idea of the investigation was to define testing parameters with the lowest influence of internal and external diffusion on catalytic activity in hydrodesulfurization of dibenzothiophene. Traditional experimental methods were used to determine the conditions for the influence of internal and external diffusion. Simultaneous change of a linear feedstock rate and a catalyst loading at constant weight hour space velocity were used to determine the process temperature (240–260 °C) at which the impact of external diffusion is minimal. Catalytic tests, including the variation of the catalyst fraction size, were carried out to define the conditions with the lowest influence of internal diffusion. It was found that when the catalyst with the fraction size of 0.1–0.25 mm was used, the fluctuation of sulfur conversion was the smallest. Besides, to validate experimental results, the calculations were performed with mass balance equations and expressions used for HDS modeling. The resulting data and catalytic experiments demonstrated that the lowest influence of internal and external diffusion is achieved at a temperature process less than 260 °C and a catalyst fraction of 0.1–0.25 mm.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44406217","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-18DOI: 10.15826/chimtech.2023.10.2.07
V. Bykov, D. A. Kovalenko, E. Sterkhov, T. Kulikova
The thermal stability and non-isothermal crystallization of a new bulk-amorphous high-entropy (HE-BMG) equiatomic GdYScAlCo alloy were studied by differential scanning calorimetry (DSC). The alloy shows a four-stage crystallization process. The kinetic parameters (activation energy (Eα)), the pre-exponential factor (logA) and glass-forming ability indicators (kinetic fragility index, characteristic temperatures) for the GdYScAlCo alloy were obtained. The Eα values obtained by isoconversional methods indicate a nonlinear Arrhenian behaviour and a complex process. The Avrami equation modification proposed by Jeziorny and the multivariate nonlinear regression method were applied on the nonisothermal crystallization. In the case of primary crystallization of the amorphous GdYScAlCo alloy under nonisothermal conditions, the kinetics of the nucleation process is best described by an autocatalytic reaction.
{"title":"Crystallization kinetics of GdYScAlCo high-entropy bulk metallic glass","authors":"V. Bykov, D. A. Kovalenko, E. Sterkhov, T. Kulikova","doi":"10.15826/chimtech.2023.10.2.07","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.07","url":null,"abstract":"The thermal stability and non-isothermal crystallization of a new bulk-amorphous high-entropy (HE-BMG) equiatomic GdYScAlCo alloy were studied by differential scanning calorimetry (DSC). The alloy shows a four-stage crystallization process. The kinetic parameters (activation energy (Eα)), the pre-exponential factor (logA) and glass-forming ability indicators (kinetic fragility index, characteristic temperatures) for the GdYScAlCo alloy were obtained. The Eα values obtained by isoconversional methods indicate a nonlinear Arrhenian behaviour and a complex process. The Avrami equation modification proposed by Jeziorny and the multivariate nonlinear regression method were applied on the nonisothermal crystallization. In the case of primary crystallization of the amorphous GdYScAlCo alloy under nonisothermal conditions, the kinetics of the nucleation process is best described by an autocatalytic reaction. ","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45316440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-11DOI: 10.15826/chimtech.2023.10.2.06
A. Bedarkova, N. Tarasova, I. Animitsa, E. Abakumova, I. Fedorova, P. Cheremisina, Evgenia Verinkina
Active development of electrochemical devices such as proton-conducting fuel cells and electrolyzers should ensure sustainable environmental development. An electrolyte material of a hydrogen-powered electrochemical device must satisfy a number of requirements, including high proton conductivity. Layered perovskites are a promising class of proton-conducting electrolytes. The cationic co-doping method has been successfully applied to well-known proton conductors with the classical perovskite structure ABO3. However, the data on the application of this method to layered perovskites are limited. In this work, the bilayer perovskites BaLa1.9Sr0.1In1.95M0.05O6.925 (M = Mg2+, Ca2+) were obtained and investigated for the first time. Cationic co-doping increases oxygen-ion and proton conductivity values.
{"title":"Novel co-doped protonic conductors BaLa1.9Sr0.1In1.95M0.05O6.925 with layered perovskite structure","authors":"A. Bedarkova, N. Tarasova, I. Animitsa, E. Abakumova, I. Fedorova, P. Cheremisina, Evgenia Verinkina","doi":"10.15826/chimtech.2023.10.2.06","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.06","url":null,"abstract":"Active development of electrochemical devices such as proton-conducting fuel cells and electrolyzers should ensure sustainable environmental development. An electrolyte material of a hydrogen-powered electrochemical device must satisfy a number of requirements, including high proton conductivity. Layered perovskites are a promising class of proton-conducting electrolytes. The cationic co-doping method has been successfully applied to well-known proton conductors with the classical perovskite structure ABO3. However, the data on the application of this method to layered perovskites are limited. In this work, the bilayer perovskites BaLa1.9Sr0.1In1.95M0.05O6.925 (M = Mg2+, Ca2+) were obtained and investigated for the first time. Cationic co-doping increases oxygen-ion and proton conductivity values.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41720600","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-11DOI: 10.15826/chimtech.2023.10.2.05
R. Fatykhov, I. Khalymbadzha, A. Sharapov, A. P. Potapova, E. Starnovskaya, D. Kopchuk, O. Chupakhin
Herein, we report a convenient one-pot synthesis of 1,2,4-triazinyl derivatives of benzocoumarins. The proposed approach consists in the nucleophilic addition of tetrahydrobenzo annulated dimethoxycoumarin to 1,2,4-triazines followed by double oxidation of both dihydrotriazine and tetrahydrobenzo groups with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ). The nucleophilic addition of the dimethoxycoumarin to 1,2,4-triazines was carried out in the presence of three-fold excess of methanesulfonic acid in DCM at room temperature and take place between positions 4 and 5 of coumarin and 1,2,4-triazine, respectively. The double oxidation step was achieved with 3.6 equivalent of DDQ. Selective oxidation of dihydrotriazine moiety, without affecting the tetrahydrobenzo fragment, was achieved using 1.2 equivalent of tetrachlorobenzoquinone (TCQ). The differences in the oxidation with TCQ and DDQ appear to be related to the higher oxidative potential of DDQ in contrast to TCQ. The advantages of the method are the elimination of the use of transition metals, the availability of starting materials, and the simplicity of the procedure. The proposed approach provides a two-step one-pot protocol for the synthesis of triazinyl benzocoumarins, precursors for the preparation of push-pull pyridinyl chromophore.
{"title":"Expedient synthesis of 1,2,4-triazinyl substituted benzo[c]coumarins via double oxidation strategy","authors":"R. Fatykhov, I. Khalymbadzha, A. Sharapov, A. P. Potapova, E. Starnovskaya, D. Kopchuk, O. Chupakhin","doi":"10.15826/chimtech.2023.10.2.05","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.05","url":null,"abstract":"Herein, we report a convenient one-pot synthesis of 1,2,4-triazinyl derivatives of benzocoumarins. The proposed approach consists in the nucleophilic addition of tetrahydrobenzo annulated dimethoxycoumarin to 1,2,4-triazines followed by double oxidation of both dihydrotriazine and tetrahydrobenzo groups with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ). The nucleophilic addition of the dimethoxycoumarin to 1,2,4-triazines was carried out in the presence of three-fold excess of methanesulfonic acid in DCM at room temperature and take place between positions 4 and 5 of coumarin and 1,2,4-triazine, respectively. The double oxidation step was achieved with 3.6 equivalent of DDQ. Selective oxidation of dihydrotriazine moiety, without affecting the tetrahydrobenzo fragment, was achieved using 1.2 equivalent of tetrachlorobenzoquinone (TCQ). The differences in the oxidation with TCQ and DDQ appear to be related to the higher oxidative potential of DDQ in contrast to TCQ. The advantages of the method are the elimination of the use of transition metals, the availability of starting materials, and the simplicity of the procedure. The proposed approach provides a two-step one-pot protocol for the synthesis of triazinyl benzocoumarins, precursors for the preparation of push-pull pyridinyl chromophore.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43054609","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-07DOI: 10.15826/chimtech.2023.10.2.04
Wahab K. A. Al-Ithawi, A. Khasanov, M. I. Valieva, A. Baklykov, K. Chistiakov, E. D. Ladin, I. Kovalev, I. L. Nikonov, Grigory A. Kim, Vadim A. Vadim, D. Kopchuk, Zhuo Wang, G. Zyryanov
Three efficient synthetic approaches towards new azomethine- and terpyridine-containing 2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (diketopyrrolopyrrole, DPP) based polymers, such as P1 and P2, are reported. The first approach involves the Pd-catalyzed synthesis via two- or three-component Suzuki or Stille cross-coupling reaction in solution. The second approach involves Pd-catalyzed Suzuki cross-coupling reaction under ball-milling conditions. And, finally, the third approach involves Pd-free condensation reaction under ball-milling conditions. The newly obtained polymers exhibited absorbance around 700 nm and emission around 900 nm, and, thus, these polymers are considered to be NIR-fluorophores.
{"title":"(Mechano)synthesis of azomethine- and terpyridine-linked diketopyrrolopyrrole-based polymers","authors":"Wahab K. A. Al-Ithawi, A. Khasanov, M. I. Valieva, A. Baklykov, K. Chistiakov, E. D. Ladin, I. Kovalev, I. L. Nikonov, Grigory A. Kim, Vadim A. Vadim, D. Kopchuk, Zhuo Wang, G. Zyryanov","doi":"10.15826/chimtech.2023.10.2.04","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.04","url":null,"abstract":"Three efficient synthetic approaches towards new azomethine- and terpyridine-containing 2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (diketopyrrolopyrrole, DPP) based polymers, such as P1 and P2, are reported. The first approach involves the Pd-catalyzed synthesis via two- or three-component Suzuki or Stille cross-coupling reaction in solution. The second approach involves Pd-catalyzed Suzuki cross-coupling reaction under ball-milling conditions. And, finally, the third approach involves Pd-free condensation reaction under ball-milling conditions. The newly obtained polymers exhibited absorbance around 700 nm and emission around 900 nm, and, thus, these polymers are considered to be NIR-fluorophores.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41477576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-04-04DOI: 10.15826/chimtech.2023.10.2.03
In this research some methods of the similarity theory were quantitatively applied to the description of the relationship between the efficiencies of the photocatalytic hydrogen production and photocurrent generation for the first time. Two possible similarity criteria, namely, such as the ratio of the number of electrons involved in the photocatalytic reaction to the generation of photocurrent ones and the ratio of energies transformed in the case of photocatalytic hydrogen evolution to the photocurrent, were obtained by the dimensional analysis. The literature data allow checking the first criterion. The application of the first possible similarity criterion to the samples with different chemical nature, solid solutions, series, in which the synthesis time or the ratio of catalyst components, electrolyte amount or its nature is changed, was analyzed. It was shown that the ratio of electrons may serve as the similarity criterion only under the conditions of geometric and physical similarities.
{"title":"Application of the similarity theory to analysis of photocatalytic hydrogen production and photocurrent generation","authors":"","doi":"10.15826/chimtech.2023.10.2.03","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.03","url":null,"abstract":"In this research some methods of the similarity theory were quantitatively applied to the description of the relationship between the efficiencies of the photocatalytic hydrogen production and photocurrent generation for the first time. Two possible similarity criteria, namely, such as the ratio of the number of electrons involved in the photocatalytic reaction to the generation of photocurrent ones and the ratio of energies transformed in the case of photocatalytic hydrogen evolution to the photocurrent, were obtained by the dimensional analysis. The literature data allow checking the first criterion. The application of the first possible similarity criterion to the samples with different chemical nature, solid solutions, series, in which the synthesis time or the ratio of catalyst components, electrolyte amount or its nature is changed, was analyzed. It was shown that the ratio of electrons may serve as the similarity criterion only under the conditions of geometric and physical similarities.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43881369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-30DOI: 10.15826/chimtech.2023.10.2.02
The kinetics of solid-state oxidation by air of iron, copper and zinc sulfide natural mixture, which is typical of the pyritic copper ores, is investigated. Using the high-temperature X-ray powder diffraction, thermogravimetry and differential scanning calorimetry, it was found that the process can be represented by five exothermic elementary reactions, corresponding to intensive burning of iron, copper and zinc sulfides, and two endothermic ones, associated with decomposition of copper and iron sulfates. Kinetic analysis is performed by Kissinger and Augis–Bennett methods, the model-free function mechanism was determined from y(α) master plots and iterative optimization of the kinetic parameters. The limiting steps of these reactions are nucleation and crystal growth, and the values of activation energy, pre-exponential factor and Avrami exponent are in the ranges of 140–459 kJ·mol–1, 1.41·104–3.49·1031 s–1, and 1.0–1.7, respectively. Crystallization is followed by an increase in the number of nuclei, which may be formed both at the interface and in the bulk of the ore particles, and crystal growth is one-dimensional and controlled by a chemical reaction at the phase boundary or diffusion. The results of the work can contribute to the development of theoretical ideas about the physicochemical transformations of pyritic ores and concentrates during pyrometallurgical operations.
{"title":"Kinetics of solid-state oxidation of iron, copper and zinc sulfide mixture","authors":"","doi":"10.15826/chimtech.2023.10.2.02","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.2.02","url":null,"abstract":"The kinetics of solid-state oxidation by air of iron, copper and zinc sulfide natural mixture, which is typical of the pyritic copper ores, is investigated. Using the high-temperature X-ray powder diffraction, thermogravimetry and differential scanning calorimetry, it was found that the process can be represented by five exothermic elementary reactions, corresponding to intensive burning of iron, copper and zinc sulfides, and two endothermic ones, associated with decomposition of copper and iron sulfates. Kinetic analysis is performed by Kissinger and Augis–Bennett methods, the model-free function mechanism was determined from y(α) master plots and iterative optimization of the kinetic parameters. The limiting steps of these reactions are nucleation and crystal growth, and the values of activation energy, pre-exponential factor and Avrami exponent are in the ranges of 140–459 kJ·mol–1, 1.41·104–3.49·1031 s–1, and 1.0–1.7, respectively. Crystallization is followed by an increase in the number of nuclei, which may be formed both at the interface and in the bulk of the ore particles, and crystal growth is one-dimensional and controlled by a chemical reaction at the phase boundary or diffusion. The results of the work can contribute to the development of theoretical ideas about the physicochemical transformations of pyritic ores and concentrates during pyrometallurgical operations.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41701984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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