Chemistry Journal of Moldova

Physical chemistry and chemical physics

Author(s):

Ihor Pylypenko, Iryna Kovalchuk, Mykola Tsyba, Yurii Lytvynenko, Oleksandr Shyrokov


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2025 Volume 20, no.1
Pages: 69-78
Keywords: biochar composite, palygorskite, pyrolysis, adsorption, uranium(VI).
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https://doi.org/10.19261/cjm.2025.1294
 
Graphycal Abstract: This paper presents palygorskite/biochar/iron oxide composites for uranium (VI) removal from water. The composites, containing magnetite and hematite, achieved maximum uranium adsorption (100.2 μmol/g), with pH increase enhancing the process. Magnetite facilitated uranium (VI) reduction to uranium (IV), proving effective for in situ water remediation.


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Author(s):

Latifah Hauli, Chika Lutfi Adiningrum, Muhammad Safaat, Indri Badria Adilina, Silvester Tursiloadi, Lenny Marlinda, Dian Susanthy, Muflikhah Muflikhah


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2025 Volume 20, no.1
Pages: 79-85
Keywords: zeolite, activated charcoal, adsorbent, hydrogen storage.
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https://doi.org/10.19261/cjm.2025.1279
 
Graphycal Abstract: The purpose of this research was to activate Lampung natural zeolites, modify them with activated charcoal, and evaluate how well they store hydrogen. The highest hydrogen capacity value, 0.57 mmol/g, is found in activated natural zeolite, according to the Hydrogen-temperature programmed desorption data (H2-TPD).



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Author(s):

Ibraheem Olusola Ayeni and Toyese Oyegoke


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2025 Volume 20, no.1
Pages: 86-94
Keywords: adsorption, modelling, density functional theory, 2D material, metal doping effect, graphene, molecular simulation.
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https://doi.org/10.19261/cjm.2025.1264
 
Graphycal Abstract: The impact of doping graphene with metals like Cu, Al, and Mn on its adsorption strength for arsenic (As) was computationally explored for industrial wastewater treatment. The results show that doped graphene outperforms undoped graphene, suggesting that doping can enhance the adsorptive properties of graphene for As removal.


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Author(s):

Sergey Travin, Gheorghe Duca, Oleg Gromov


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2024 Volume 19, no.2
Pages: 93-100
Keywords: radionuclide, NPP gas-aerosol emission, Zipf distribution, rank distribution, radioactive emission, fingerprint criterion.
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https://doi.org/10.19261/cjm.2024.1234

Abstract (PDF)

Graphycal Abstract: This study investigates the radionuclide emissions from nuclear power plants (NPPs), focusing on the gas-aerosol emissions from reactors such as VVER-440. The radionuclide composition of these emissions is analyzed to determine the biological hazards they pose, particularly focusing on isotopes such as tritium and radiocarbon. The research highlights the patterns of radionuclide accumulation in fuel assemblies using "rank-size" coordinates, which provide a more visual and informative method compared to traditional atomic weight dependency analyses.



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Author(s):

Oleg Petuhov, Nina Timbaliuc, Irina Ceban (Ginsari), Silvia Cibotaru, Tudor Lupascu, Raisa Nastas


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2024 Volume 19, no.1
Pages: 93-101
Keywords: activated carbon, adsorption, isotherm model, kinetic model, methylene blue.
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https://doi.org/10.19261/cjm.2024.897

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Supplementary Material (PDF)
Graphycal Abstract: The purpose of this work was to compare the structural and sorption characteristics of local vegetal activated carbon obtained from apricot stones (AC-C, Republic of Moldova) with that of commercial activated carbons (Granucol® BI/GE/FA, Germany). According to the obtained results, the local vegetal activated carbon (AC-C) has proven to be comparatively effective with commercial ones (Granucol® type) in removing methylene blue dye from solutions.


Downloads: 253

Author(s):

Zainab Jasim Khudair and Zeina Mohammad Kadam


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2024 Volume 19, no.1
Pages: 84-92
Keywords: multi-walled carbon nanotubes, chitosan nanocomposite, adsorption, thermodynamic, ofloxacin drug.
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https://doi.org/10.19261/cjm.2024.1161

Abstract (PDF)
Supplementary Material (PDF)
Graphical Abstract:
A nanocomposite of chitosan and poly acrylic acid grafting multi-walled carbon nanotubesp (CS-co-AA)/MWCNTs was applied as adsorbent for Ofloxacin adsorption from water solutions. The isotherm constant (KF) of 0.218 and the separation factor (R2) of 0.956 indicate a strong and desirable adsorption of OFL on p(CS-co-AA)/MWCNTs with a concentration of 100 mg/L at a temperature of 293K and an acidic medium with pH of 7.0.




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Author(s):

Sri Wuryanti, Tina Mulya Gantina, Annisa Syafitri Kurniasetiawati


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2024 Volume 19, no.1
Pages: 102-111
Keywords: TiO2 and ZnO fluorine-doped tin oxide, porphyrin, ZnO with Al doping.
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https://doi.org/10.19261/cjm.2024.1157

Abstract (PDF)
Supplementary Material (PDF)
Graphical Abstract: This research systematically investigates the impact of porphyrin and chlorophyll dyes derived from Syzygium Paniculatum on Dye-Sensitized Solar Cells (DSSC) performance, aiming to achieve maximum solar cell efficiency. The investigation involves utilizing fluorine-doped tin oxide coating with a TiO2-ZnO composite. Results demonstrate that DSSCs based on TiO2-ZnO: Al + chlorophyll produce an efficiency of 13.32%, while porphyrin (2:2:0.1) and (2:2:0.2) produce efficiencies of 8.91% and 13.95%, respectively. These findings highlight the potential of utilizing natural dyes for enhancing DSSC performance.



Downloads: 101

Author(s):

Ana Maria Toader, Maria Cristina Buta, Fanica Cimpoesu


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2023 Volume 18, no.2
Pages: 78-86
Keywords: lanthanide ion, luminescence, spectral term, Slater-Condon parameter, ab initio calculation.
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https://doi.org/10.19261/cjm.2023.1146

Abstract (PDF)
Supplementary Material (PDF)

Graphical Abstract: The ab initio account of f and d electrons in lanthanide ions is assessed taking the Pr(III) ion. This shows rich experimental data and analytical tractability of spectral terms. The calculations are reaching a moderate match to experiment, the analysis identifying the actual impediments and suggesting ways of possible improvement. 



Downloads: 116

Author(s):

Tudor Spataru


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2023 Volume 18, no.2
Pages: 96-104
Keywords: glutamate mutase, methylmalonyl-CoA mutase, adenosylcobalamin cofactor, vitamin B12, Pseudo-Jahn-Teller effect.
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https://doi.org/10.19261/cjm.2023.1087

Abstract (PDF)
Graphical Abstract: 
The Pseudo-Jahn-Teller-Effect governs the glutamate mutase and methylmalonate-CoA mutase preliminary step and provides insight into particular details of in vivo C-N bond cleavage reactions of the adenosylcobalamin cofactor. Multi-configurational self-consistent field (MCSCF) calculations show that the preliminary step reaction glutamate mutase and methylmalonate-CoA mutase processes occur in the absence of total energy barriers.





Downloads: 62

Author(s):

Pedro Silva


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2023 Volume 18, no.2
Pages: 87-95
Keywords: density-functional theory, reaction mechanisms, intra-molecular Williamson’s ether synthesis, epoxide, halohydrin.
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Abstract (PDF)
Graphical Abstract:
DFT computations identify the effects that enable the synthesis of geometrically-strained epoxide from deprotonated halohydrins. These computations also explain the preference for the formation of larger cyclic ethers with five-atom rings over six-atom-rings. Increased temperature favors elimination over SN2 only when the reacting moieties are part of separate molecules.




Downloads: 86