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Fischer–Tropsch Synthesis in the Presence of Catalysts Based on Unmodified Iron Ores
Russian Journal of Applied Chemistry. 2021. Vol. 94. No. 1. P. 104–109.
The use of commercial magnetite-type iron ore and of ferriferous quartzite type ore as catalysts for low-temperature Fischer–Tropsch synthesis is described. According to the results of chemical analysis, the ores mainly contained iron magnetite, carbon, and also baddeleyite (ZrO2 + HfO2) and hatchettolite (Ta2O5 + Nb2O5 + U3O8). The ore samples with the highest iron content (48–59%) and the lowest sulfur content (0.1% and less) showed activity in the Fischer–Tropsch synthesis without additional modification in the commercial form. The yield of liquid products in the synthesis performed on the most active samples of ore catalysts exceeded 100 g m–3 at the СО conversion of approximately 60%. The ore activity in the Fischer–Tropsch synthesis may be associated with the fact that these natural mineral formations contain oxides exerting a promoting effect when using the ores as catalysts.
Belousov Y., Кискин М. А., Sidoruk A. et al., Australian Journal of Chemistry 2022 Vol. 75 No. 9 P. 572–580
Four new complexes [Ln(pfaa)3(H2O)2]n (Ln = Eu (1), Tb (2)) and [Ln2Cd2(pfaa)10 (phen)2(EtOH)2]·2MeCN (Ln = Eu (3), Tb (4), phen = 1,10-phenanthroline) based on pentaphorphenylacetic acid (Hpfaa) have been prepared and completely investigated. The structures of compounds 1 and 3 were studied by single crystal X-ray diffraction analysis: the isostructural complexes 1 and 2 represent ...
Added: August 26, 2026
Mazur D., Brandyshev P., Doronin S. V. et al., Electrochimica Acta 2026 Vol. 577 Article 149729
The electric double layer (EDL) at a single-crystal metal surface is controlled not only by the electrolyte composition and the electrode potential, but also by the atomic structure of the surface itself. This makes the Ag(hkl)/NaF interface a stringent test for continuum theories of the EDL. In the third part of our series, we examine ...
Added: August 20, 2026
Budkov Y., Kalikin N., Journal of Chemical Physics 2026 Vol. 165 Article 064506
A self-consistent statistical-mechanical theory of the Hall effect in electrolyte solutions is developed by extending the self-consistent Debye–Hückel–Onsager (SCDHO) framework to crossed electric and magnetic fields. The theory incorporates non-local ionic charge distributions via Slater-type form factors, regularizing the Coulomb interaction at short range, and accounts for dielectric friction through ion-specific coefficients, employing experimental values ...
Added: August 12, 2026
Novikov A., New Journal of Chemistry 2026 Vol. 50 P. 13931–13957
The rational design of coinage metal nanocarriers requires a mechanistic understanding of metal-drug binding and predictive descriptors that translate molecular interactions into design rules. Using DFT (B3LYP-D3BJ/def2-TZVP, SMD water), we systematically investigated the binding of 5-fluorouracil (5-FU) and levodopa (l-DOPA) to neutral and cationic homo- and heteronuclear dimers of Au, Ag, and Cu (Au2, Ag2, ...
Added: August 12, 2026
Voropaeva D., S. Novikova, I. Stenina et al., Solid State Ionics 2026 Vol. 445 Article 117288
Composite gel polymer electrolytes based on a perfluorinated sulfonic acid cation-exchange MF-4SC membrane
containing surface-sulfonated nanoparticles of aluminum oxide, cerium (IV) oxide, and titanium oxide (sAl2O3,
sCeO2, and sTiO2, respectively) were prepared by casting from a dispersion in N,N-dimethylformamide and
plasticized with a 1,3-dioxolane/1,2-dimethoxyethane mixture. The influence of the filler nature on ionic conductivity,
solvent uptake, activation energy, lithium ...
Added: July 30, 2026
Korogod D., Shapeev A., Ivan S. Novikov, Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 2 Article 024104
We present two models with explicit long-range electrostatics in the form of Coulomb interactions. Both models include point charges depending on their local atomic environments, and the second model also conserves a total charge of an atomic system. We combine the proposed long-range models with the local moment tensor potential (MTP) and demonstrate that they ...
Added: July 22, 2026
Moshkina E., Molokeev M., Zolotov A. et al., Journal of Alloys and Compounds 2026 Vol. 1077 Article 189412
A wide series of substitutions in a subsystem of small radii cations M = Al, Cr, Fe, Ga, Sc is possible in rare-earth borates ReM3(BO3)4 with the huntite structure. However, the existence of these compounds where M = Mn still raises doubts. The study presents a synthetic approach developed in the framework of the flux method allowing for the required ...
Added: June 29, 2026
Schneider M., Zaripov D., Dokin R. et al., Journal of Chemical Theory and Computation 2026 Vol. 22 No. 9 P. 4405–4414
Density functional theory (DFT) is the workhorse of modern reactions and materials modeling. While the exact functional remains unknown, many approximations to it have been constructed either by hand-crafting functional forms to satisfy exact constraints or by machine learning. In this work, we show how both of these approaches can be fused to build both ...
Added: June 26, 2026
Laurinavichyute V., Levin E. E., Mironkova A. A. et al., Surfaces and Interfaces 2026 Vol. 81 Article 108389
In this work we characterize mixed Mo-W acidic deposition solutions with Mo content ranging from 0 to 100 mol.% by Raman and UV–Vis spectroscopy. The obtained distribution diagram of mixed isopolyanions allows one to explain the observed change in film deposition rate with increase in Mo content. It was found that the initial decrease in ...
Added: June 24, 2026
Filippova A. V., Yurchenko N. Y., Smirnov S. A. et al., Journal of Alloys and Compounds 2026 No. 1074 Article 189162
This study investigates the effects of post-processing heat treatment at 300–500 °C on the microstructure, hardness, and tensile properties of laser powder bed fusion (PBF-LB) processed Al-bronze processed with energy densities (ED) in the range of 125–938 J/mm3. In the as-printed state, sharp needle-like α + β′ laths form at lower ED whereas with increasing ED, the β′ ...
Added: June 12, 2026
Obijiofor O., Novikov A., New Journal of Chemistry 2026 Vol. 50 No. 23 P. 9749–9768
Rational design of gold-based nanocarriers for neurotherapeutics requires atomic-scale understanding of drug-material interactions. Density functional theory calculations were performed to investigate levodopa (L-DOPA) adsorption on small gold clusters (Au2–Au4) with cationic, neutral, and anionic charges, with additional validation on a larger Au10 cluster using multiple low-energy isomers. Binding free energies (ΔGbind), charge transfer, and electronic descriptors ...
Added: June 3, 2026
Das A., Saikia J., Maji N. et al., ChemNanoMat 2026 Vol. 12 No. 5 Article e202500733
Developing efficient photoactive materials from bio-derived resources is vital yet challenging for achieving effective water splitting performance. In this work, nano carbon dots (CDs) of zero-dimensional (0D) were synthesized from papaya peel through a simple and eco-friendly process and subsequently anchored onto the two-dimensional (2D) layered structure of graphitic carbon nitride (g-C3N4, GCN) at various ...
Added: June 2, 2026
Wary R. R., Mahato B., Sharma N. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 5099–5107
Development of heterojunction materials is an efficient approach for enhancing photocatalytic and photoelectrochemical processes. We develop a ZnO/CuO heterojunction via Cu doping into a ZnO matrix. Structural characterization confirmed that Cu was effectively incorporated into ZnO without any structural changes. The improved optical properties and reduced charge carrier recombination of the doped samples were confirmed ...
Added: June 2, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Hossein Vasigh S. A. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 13 P. 3978–3985
Water electrolysis is a key technology for sustainable energy conversion and hydrogen generation. Recently, high-entropy oxides (HEOs) have emerged as promising materials because they allow tuning of structural, electronic, and catalytic properties in multifunctional systems. Here, we report the synthesis of a multicomponent La(FeCoCuTiNiMnMgSnZn)O3 perovskite, and its hybridization with reduced graphene oxide (rGO) to form a ...
Added: June 1, 2026
Chowdhury U., Mondal S., Dey S. et al., Journal of the american chemical society 2026 Vol. 148 No. 23 P. 24538–24550
Covalent functionalization offers a versatile platform to engineer carbon nanotube properties for optoelectronics applications. We demonstrate by atomistic quantum dynamics simulation that covalent functionalization can renormalize the CNT band gap, split the degenerate CNT band edge states, and strongly influence charge carrier separation and recombination dynamics. Open-ring CNT functionalization (O-CNT) largely retains the π-conjugation, whereas ...
Added: June 1, 2026
Jiménez-Grávalos F., Alexander S. Novikov, Pendás Á. M., Communications in Computational Chemistry 2026 Vol. 8 No. 2 P. 203–210
Chalcogen bonds (ChBs) are often interpreted as 𝜎-hole driven electrostatic interactions between a chalcogen atom and a Lewis base, yet their covalent character remains under active discussion. Here, we present a real-space, reference-free study of prototypical X2Ch···X– complexes (X = F, Cl; Ch = O, S) using the Interacting Quantum Atoms (IQA) energy decomposition within ...
Added: May 27, 2026
Fominykh N., Stegailov V., Physical Review B: Condensed Matter and Materials Physics 2025 Vol. 111 No. 11 Article 115130
In this work, we apply the DFT+U approach for a detailed ab initio study of the refined structure of the low-temperature phase of magnetite [M. S. Senn et al., Nature (London) 481, 173 (2012)]. We compare the electronic properties of this structure and several alternatives with respect to the presence of trimeron ordering and the ...
Added: September 16, 2025
Николаев С. А., Эзжеленко Д. И., Chistyakov A. et al., Нефтехимия 2023 Т. 63 № 4 С. 566–581
Изучено влияние условий синтеза на активность Pd–Cu-катализаторов конверсии этанола в бутанол. Установлено, что оптимальными условиями для формирования наиболее активной системы 0.2%Cu/0.3%Pd/Al2O3 являются: синтез образца пропиткой Al2O3 из водных растворов нитратов Pd и Cu; последовательный порядок нанесения прекурсоров металлов; суммарное содержание Pd и Cu в образце – 0.5 мас. %; мольное отношение Pd:Сu = 1:1; температура ...
Added: November 11, 2023
Evgeny V. Pospelov, Zhirov A., Kamidolla B. et al., Advanced Synthesis and Catalysis 2023 Vol. 365 No. 17 P. 2850–2857
A protocol for the synthesis of 2,3-dihydrofurans by reductive denitrogenation/ring contraction of 6-membered cyclic nitronates was developed. The process utilizes cheap Raney® nickel both as catalyst and stoichiometric agent without the need for high-pressure equipment. The products are formed in high purity and column chromatography is often not required. Studies on the substrate scope, functional ...
Added: October 27, 2023
Shutikova M. I., V. V. Stegailov, Journal of Physics: Condensed Matter 2022 Vol. 34 No. 47 Article 475701
The cubic phase of magnetite is stabilized above the Verwey transition temperature of about 120 K via a complex electron–phonon interaction that is still not very well understood. In this work using the DFT + U method we describe our attempt to calculate point defect formation energies for this cubic phase in the static approximation. The electronic structure ...
Added: October 27, 2022
Kulikova M. V., CHUDAKOVA M. V., KUZMIN A. E. et al., Russian Journal of Applied Chemistry 2019 Vol. 92 No. 12 P. 1820–1825
The optimum loading on the iron-containing catalytic dispersion of the three-phase Fischer—Tropsch synthesis was 25 nL/hr when using an autoclave reactor. The linear velocity of the synthesis gas corresponded to 0.003 cm/sec. Under these conditions, the following synthesis parameters were achieved, including CO conversion of 80%, liquid hydrocarbon productivity 400 g kg Fe/hr. Based on ...
Added: November 6, 2020
Shapovalov S., Energy 2019 Vol. 172 P. 18–25
The preparation of biodiesel from fatty materials HDO provides a very constructive idea to solve the global clean energy problem. The application of catalytic technology to convert oils into green liquid hydrocarbon fuel has great potential for industrial application. The main problem with the development of green diesel technology is the limited number of available ...
Added: December 2, 2019
Drobysh I. I., Крейнин Е. В., Лапидус А. Л. et al., Газовая промышленность 2011 № 3 С. 65–67
В настоящее время начато формирование государственной программы по глубокой переработке угля в жидкие моторные топлива. В статье предложено использование для этого подземной газификации угля (ПГУ) и получаемого при этом газа в синтезе Фишера-Тропша (СФТ).Рассмотрены два варианта комплексного энергохимического предприятия ПГУ - СФТ: осуществление ПГУ на воздушном и обогащенном кислородом дутье. В качестве генерируемых синтетических топлив ...
Added: June 12, 2015