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Journal articles on the topic 'Alkali metal – carbon interaction'

Author: Grafiati

Published: 24 June 2021

Last updated: 11 February 2022

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1

Zaporotskova, Irina V., Natalya P. Boroznina, Evgeniy S. Dryuchkov, Tatyana S. Shek, Yulia V. Butenko, and Pavel A. Zaporotskov. "Surface functionalization of CNTs by a nitro group as a sensor device element: theoretical research." Image Journal of Advanced Materials and Technologies 6, no. 2 (2021): 113–21. http://dx.doi.org/10.17277/jamt.2021.02.pp.113-121.

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The problem of modifying carbon nanotubes (CNTs) by functional groups is relevant in connection with the intensive development of the nanoindustry, in particular, nano- and microelectronics. For example, a modified nanotube can be used as a sensor device element for detecting microenvironments of various substances, in particular, metals included in salts and alkalis. The paper discusses the possibility of creating a highly efficient sensor using single-walled carbon nanotubes as a sensitive element, the surface of which is modified with the functional nitro group —NO2. Quantum-chemical research of the process of attaching a nitro group to the outer surface of a single-walled CNTs of the (6, 0) type were carried out, which proved the possibility of modifying CNTs and the formation of a bond between the —NO2 group and the carbon atom of the nanotube surface. The results of computer simulation of the interaction process of a surface-modified carbon nanotube with alkali metal atoms (lithium, sodium, potassium) are presented. The sensory interaction of a modified carbon nanosystem with selected metal atoms was investigated, which proved the possibility of identifying these atoms using a nanotubular system that can act as a sensor device element. When interacting with alkali metal atoms in the “СNT – NO2” complex, the number of major carriers increases due to the transfer of electron density from metal atoms to the modified CNTs. The results presented in this paper were obtained using the molecular cluster model and the DFT calculation method with the exchange-correlation functional B3LYP (valence split basis set 6-31G).

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2

Balakrishnan, Vimal K., Julian M. Dust, Gary W. vanLoon, and Erwin Buncel. "Catalytic pathways in the ethanolysis of fenitrothion, an organophosphorothioate pesticide. A dichotomy in the behaviour of crown/cryptand cation complexing agents." Canadian Journal of Chemistry 79, no. 2 (February 1, 2001): 157–73. http://dx.doi.org/10.1139/v01-006.

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The rates of displacement of 3-methyl-4-nitrophenoxide ion from the pesticide, fenitrothion, by alkali metal ethoxides in anhydrous ethanol were followed spectrophotometrically. Through product analysis experiments, which included 31P NMR and GC-MS, as well as spectrophotometric analysis, three reaction pathways were identified: nucleophilic attack at the phosphorus centre, attack at the aliphatic carbon, and a minor SNAr route ([Formula: see text]7%). Furthermore, a consecutive process was found to occur on the product of attack at the phosphorus centre. For purposes of kinetic treatment, the processes at the aliphatic and aromatic carbon were combined (i.e., the minor SNAr pathway was neglected), and the observed reaction rate constants were dissected into rate coefficients for nucleophilic attack at phosphorus and at aliphatic carbon. Attack at phosphorus was found to be catalyzed by the alkali metal ethoxides in the order KOEt > NaOEt > LiOEt. Catalysis arises from alkali metal ethoxide aggregates in the base solutions used (01.8 M); treatment of the system as a mixture of free ethoxide, ion-paired metal ethoxide, and metal ethoxide dimers resulted in a good fit with the kinetic data. An unexpected dichotomy in the kinetic behaviour of complexing agents (e.g., DC-18-crown-6, [2.2.2]cryptand) indicated that the dimers are more reactive than free ethoxide anions, which are in turn more reactive than ion-paired metal ethoxide. The observed relative order of reactivity is explained in the context of the Eisenman theory in which the free energy of association of the metal ion with the rate-determining transition state is largely determined by the solvent reorganization parameter. In contrast with displacement at the phosphorus centre, attack at the aliphatic carbon was not found to be catalyzed by alkali metals. In this case, the free ethoxide anion was more reactive than either the ion-paired metal ethoxide or the dimeric aggregate. The differing effects of alkali metals on the two pathways is ascribed largely to the leaving group pKa. For carbon attack, the pKa value estimated for demethyl fenitrothion, 2.15, is sufficiently low that metal ions are not required to stabilize the rate-determining transition state. In contrast, for phosphorus attack, 3-methyl-4-nitrophenoxide, with a pKa of 7.15, requires stabilization by metal ion interactions. Hence, alkali metal ions catalyze attack at phosphorus, but not attack at the carbon centres.Key words: organophosphorothioate, pesticide, fenitrothion, ethanolysis, alkali metal ethoxide, ion-pair reactivity, dimers, catalysis, competitive pathways.

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3

Rondeau, Philippe, Sandrine Sers, Dhanjay Jhurry, and Frederic Cadet. "Sugar Interaction with Metals in Aqueous Solution: Indirect Determination from Infrared and Direct Determination from Nuclear Magnetic Resonance Spectroscopy." Applied Spectroscopy 57, no. 4 (April 2003): 466–72. http://dx.doi.org/10.1366/00037020360626023.

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In this article, mid-infrared Fourier transform (Mid-FT-IR) and carbon thirteen nuclear magnetic resonance (13C NMR) spectroscopy have been used to determine possible interactions between sucrose and various alkali or alkaline earth metals in aqueous solution. In the presence of these metals, significant shifts in the absorption bands of sucrose were noted by mid-FT-IR coupled with principal component analysis (PCA). These shifts were explained on the basis of weakening of the H-bond network between sucrose and water and possible interactions between sucrose and the metal ion. Factorial maps were established and the spectral patterns obtained show that these interactions vary according to the nature of the metal ion. 13C NMR analysis showed that the carbon atoms of sucrose undergo shielding or deshielding in the presence of metal ions in aqueous solutions. Two factors were invoked to account for the variation of chemical shifts: the rupture of hydrogen bonds due to hydration of the metal ion and the possible coordination of the metal ion to the oxygen atoms of sucrose.

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4

Buncel, Erwin, Ruby Nagelkerke, and Gregory RJ Thatcher. "Alkali metal ion catalysis in nucleophilic displacement by ethoxide ion on p-nitrophenyl phenylphosphonate: Evidence for multiple metal ion catalysis." Canadian Journal of Chemistry 81, no. 1 (January 1, 2003): 53–63. http://dx.doi.org/10.1139/v02-202.

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In continuation of our studies of alkali metal ion catalysis and inhibition at carbon, phosphorus, and sulfur centers, the role of alkali metal ions in nucleophilic displacement reactions of p-nitrophenyl phenylphosphonate (PNPP) has been examined. All alkali metal ions studied acted as catalysts. Alkali metal ions added as inert salts increased the rate while decreased rate resulted on M+ complexation with 18-crown-6 ether. Kinetic analysis indicated the interaction of possibly three potassium ions, four sodium ions, and five lithium ions in the transition state of the reactions of ethoxide with PNPP. Pre-association of the anionic substrate with two metals ions in the ground state gave the best fit to the experimental data of the sodium system. Thus, the study gives evidence of the role of several metal ions in nucleophilic displacement reactions of ethoxide with anionic PNPP, both in the ground state and in the transition state. Molecular modeling of the anionic transition state implies that the size of the monovalent cation and the steric requirement of the pentacoordinate transition state are the primary limitations on the number of cations that can be brought to bear to stabilize the transition state and catalyze nucleophilic substitution at phosphorus. The bearing of the present work on metal ion catalysis in enzyme systems is discussed, in particular enzymes that catalyze phosphoryl transfer, which often employ multiple metal ions. Our results, both kinetic and modeling, reveal the importance of electrostatic stabilization of the transition state for phosphoryl transfer that may be effected by multiple cations, either monovalent metal ions or amino acid residues. The more such cations can be brought into contact with the anionic transition state, the greater the catalysis observed.Key words: alkali metal ion catalysis, nucleophilic displacement at phosphorus, multiple metal ion catalysis, phosphoryl transfer.

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5

Boroznina, Natalia, Irina Zaporotskova, Sergey Boroznin, and Evgeniy Dryuchkov. "Sensors Based on Amino Group Surface-Modified CNTs." Chemosensors 7, no. 1 (March 5, 2019): 11. http://dx.doi.org/10.3390/chemosensors7010011.

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This article discusses the possibility of the fabrication of a highly sensitive sensor based on single-walled carbon nanotubes surface modified with functional amino groups (-NH2). The sensor potential for detection of alkali (sodium, lithium, and potassium) metals was investigated. The results of computer simulation of the interaction process between the sensor and an arbitrary surface of the modified tube containing atoms of the studied metals are presented. The calculations were carried out within the framework of the density functional theory (DFT) method using the molecular cluster model. It has been proved that surface-modified ammonium carbon nanotubes show high sensitivity for the metal atoms under study.

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6

Oswald, Steffen, Franziska Thoss, Martin Zier, Martin Hoffmann, Tony Jaumann, Markus Herklotz, Kristian Nikolowski, et al. "Binding Energy Referencing for XPS in Alkali Metal-Based Battery Materials Research (II): Application to Complex Composite Electrodes." Batteries 4, no. 3 (August 1, 2018): 36. http://dx.doi.org/10.3390/batteries4030036.

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X-ray photoelectron spectroscopy (XPS) is a key method for studying (electro-)chemical changes in metal-ion battery electrode materials. In a recent publication, we pointed out a conflict in binding energy (BE) scale referencing at alkali metal samples, which is manifested in systematic deviations of the BEs up to several eV due to a specific interaction between the highly reactive alkali metal in contact with non-conducting surrounding species. The consequences of this phenomenon for XPS data interpretation are discussed in the present manuscript. Investigations of phenomena at surface-electrolyte interphase regions for a wide range of materials for both lithium and sodium-based applications are explained, ranging from oxide-based cathode materials via alloys and carbon-based anodes including appropriate reference chemicals. Depending on material class and alkaline content, specific solutions are proposed for choosing the correct reference BE to accurately define the BE scale. In conclusion, the different approaches for the use of reference elements, such as aliphatic carbon, implanted noble gas or surface metals, partially lack practicability and can lead to misinterpretation for application in battery materials. Thus, this manuscript provides exemplary alternative solutions.

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7

Armstrong, David R., Helena S. Emerson, Alberto Hernán-Gómez, Alan R. Kennedy, and Eva Hevia. "New supramolecular assemblies in heterobimetallic chemistry: synthesis of a homologous series of unsolvated alkali-metal zincates." Dalton Trans. 43, no. 38 (2014): 14229–38. http://dx.doi.org/10.1039/c4dt01131g.

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8

Dunn, Edward J., Robert Y. Moir, Erwin Buncel, J. Garfield Purdon, and Robert A. B. Bannard. "Metal ion catalysis in nucleophilic displacement reactions at carbon, phosphorus, and sulfur centers. II. Metal ion catalysis in the reaction of p-nitrophenyl diphenylphosphinate with alkali metal phenoxides in ethanol." Canadian Journal of Chemistry 68, no. 10 (October 1, 1990): 1837–45. http://dx.doi.org/10.1139/v90-286.

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The reactions of p-nitrophenyl diphenylphosphinate (1) with lithium, sodium, potassium, and benzyltrimethylammonium phenoxides (BTMAOPh) have been studied by spectrophotometric techniques in anhydrous ethanol at 25 °C. The reactivity (kobs) of the alkali metal phenoxides increases in the order BTMAOPh < KOPh < NaOPh < LiOPh. The rate of reaction of 1 with LiOPh is enhanced when lithium salts (LiSCN, LiNO3, LiClO4, LiOAc) are added to the reaction media. The addition of the alkali metal complexing agents dicyclohexyl-18-crown-6 ether or [2.2.2]cryptand for Na+, and [2.1.1]cryptand for Li+, to each of the alkali metal phenoxide reactions resulted in a decrease in rate, indicating catalysis by the alkali metal ions. The kinetic data are analyzed to obtain specific rate coefficients of reactions of phenoxide and ethoxide as the dissociated ions and as alkali metal – phenoxide ion pairs. Reactivities follow the order [Formula: see text]; [Formula: see text]; [Formula: see text]; [Formula: see text]. A mechanism is proposed in which the ion-paired metal phenoxide is more reactive towards the substrate than is the dissociated phenoxide. Analysis of the data in terms of initial state and transition state interactions with metal ions indicates that the increased reactivity of the ion-paired species results from greater stabilization of the negatively charged transition state relative to stabilization of the ion-paired nucleophile. Keywords: nucleophilic displacement at phosphorus by phenoxide, alkali-metal-ion catalysis.

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9

Platek-Mielczarek, Anetta, Elzbieta Frackowiak, and Krzysztof Fic. "Specific carbon/iodide interactions in electrochemical capacitors monitored by EQCM technique." Energy & Environmental Science 14, no. 4 (2021): 2381–93. http://dx.doi.org/10.1039/d0ee03867a.

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This paper reports on the ion fluxes at the interfaces of various porous carbon electrodes/aqueous solutions of alkali metal cations (Na⁺, K⁺ and Rb⁺) and iodide anions, monitored by an electrochemical quartz crystal microbalance (EQCM).

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10

Wei, Li Hong, Na Zhang, Tian Hua Yang, and Lei Wang. "Effects of Sewage Sludge on Combustion of Loading Alkali Metal Pulverized Coal." Advanced Materials Research 550-553 (July 2012): 2315–18. http://dx.doi.org/10.4028/www.scientific.net/amr.550-553.2315.

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The effects of sewage sludge on combustion of loading alkali metal pulverized coal is carried out by thermogravimetric analysis (TGA). The result shows sewage sludge decreases initial release temperature and ignition temperature of volatile matter(VM) during the combustion of loading alkali metal pulverized coal. The combustion of fixed carbon in coal was promoted by the metal material in sludge when the sludge mixing ratio(SMA) was lower than 20% or inhibited because of the cover of sludge ash when SMA was higher than 40%. Comparison of stacking curves of sludge and measured curves of loading alkali metal coal, finds that: (1) there is no effect between sludge and coal, for the volatilization of water and small molecule substance, the combustion characteristic curves are superimposed in both experimental curves; (2) the co-combustion is interactional and interrestricted continuous change process, can't direct obtain from superimposition of curves, for the combustion of VM and fixed carbon. While SMA is lower than 20%, the samples have good combustion characteristic than pure coal.

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11

Zaporotskova, I. V., E. S. Dryuchkov, and D. E. Vilkeeva. "Surface Carboxylation of a Boron-Carbon BC₅ Nanotube in the Development of Sensor Devices." Key Engineering Materials 887 (May 2021): 23–27. http://dx.doi.org/10.4028/www.scientific.net/kem.887.23.

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This article discusses the possibility of the fabrication of a highly sensitive sensor based on single-walled boron-carbon BC5 nanotubes surface modified with functional carboxyl groups (-COOH). The sensor potential for detection of alkali (lithium, potassium, and sodium) metals were investigated. The results of computer simulation of the interaction process between the sensor and an arbitrary surface of the modified tube containing atoms of the studied metals are presented. The carboxylated BC5 nanotube and a similarly modified BC3 nanotube was compared. The effect of boron atoms on sensory properties of the obtained system is concluded. The calculations were carried out within the framework of the density functional theory (DFT) method using the molecular cluster model. It has been proved that surface-modified boron-carbon nanotubes by carboxyl group show high sensitivity for the metal atoms under study and can be used as the sensor device.

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12

Kalinkin, A. M., E. V. Kalinkina, O. A. Zalkind, and T. I. Makarova. "Mechanochemical interaction of alkali metal metasilicates with carbon dioxide: 1. Absorption of CO2 and phase formation." Colloid Journal 70, no. 1 (February 2008): 33–41. http://dx.doi.org/10.1134/s1061933x08010067.

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13

Belyakova, N. V., E. V. Butyrskaya, V. F. Selemenev, and V. A. Shaposhnik. "Separation of ethylene glycol and alkali metal salts on carbon nanotubes and mosaic membranes." Industrial laboratory. Diagnostics of materials 84, no. 6 (August 1, 2018): 11–17. http://dx.doi.org/10.26896/1028-6861-2018-84-6-11-17.

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A method for separation of ethylene glycol (EG) and alkali metal salts in aqueous solutions is developed using solid-phase extraction on carbon nanotubes (CNT) and dialysis with a domestic mosaic membrane AK-45. Both methods enable effective separation of the components of EG + NaCl (KCl) aqueous solution which is necessary for gas chromatographic determination of EG in the mixtures. Hydrophobic-hydrophilic interactions in the EG – water – CNT system provide efficient sorption of EG and almost zero sorption of potassium chloride by CNT. Coefficients of EG and KCl separation on Dealtom carbon nanotubes range within 7 – 15 (for 0.001 ≤C0 EG≤ 0.1, 0.001 ≤C0 KCl≤ 0.1 mol/liter), EG extraction rate is 86 – 94% for single extraction. CNT practically do not absorb potassium chloride. High and low permeability of mosaic membranes for metal salts EG, respectively, is a basis for separation of EG and alkali metal salts by dialysis. During a 4-hour dialysis, 96% and 87% of NaCl (C0= 0.001 mol/dm3andC0= 0.01 mol/dm3, respectively), are transferred as NaCl through the AK-45 membrane (86% and 82% for KCl). At the same time an amount of less than 3% EG (C0= 0 mol/dm3) is transferred during dialysis through AK-45 membrane. Mosaic membrane AK-45 appeared to be the most effective one regarding the transfer of alkali metal salts from low-mineralized aqueous solutions, unlike traditional ion-exchange membranes in the absebce of such transfer due to the Donnan phenomenon. Coefficients of alkali metal chloride and EG separation by dialysis with an AK-45 membrane range within 13 – 38, which indicates to their rather efficient separation.

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14

Pregel, Marko J., Edward J. Dunn, and Erwin Buncel. "Metal ion catalysis in nucleophilic displacement reactions at carbon, phosphorus, and sulfur centers. III. Catalysis vs. inhibition by metal ions in the reaction of p-nitrophenyl benzenesulfonate with ethoxide." Canadian Journal of Chemistry 68, no. 10 (October 1, 1990): 1846–58. http://dx.doi.org/10.1139/v90-287.

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The rate of the nucleophilic displacement reaction of p-nitrophenyl benzenesulfonate (1) with alkali metal ethoxides in ethanol at 25 °C has been studied by spectrophotometric techniques. For lithium ethoxide, sodium ethoxide, potassium ethoxide, and cesium ethoxide, the observed rate constants increase in the order LiOEt < NaOEt < CsOEt < KOEt. The effect of added crown ether and cryptand complexing agents was also investigated. Addition of complexing agent to the reaction of KOEt results in the rate decreasing to a minimum value corresponding to the reaction of free ethoxide. Conversely, addition of complexing agent to the reaction of LiOEt results in the rate increasing to a maximum value that is identical to the minimum value seen in the reaction of KOEt in the presence of excess complexing agent. In complementary experiments, alkali metal ions were added in the form of unreactive salts. Addition of a K+ salt to the reaction of KOEt increases the reaction rate, while addition of a Li+ salt to the reaction of LiOEt decreases the rate. The involvement of metal ions in the reaction of 1 is proposed to occur via reactive alkali metal – ethoxide ion pairs. The kinetic data are analyzed in terms of an ion pairing treatment that allows the calculation of second-order rate constants for free ethoxide and metal–ethoxide ion pairs; the rate constants increase in the order LiOEt < EtO−< NaOEt < CsOEt < KOEt. Thus, Li+isaninhibitorofthereactionofethoxidewith1, whiletheothermetalsionsstudiedareallcatalysts. Equilibrium constants for the association of the various metal ions with the transition state are calculated using a thermodynamic cycle, and are compared to association constants in the ground state. Consistent with the observed kinetic results, Li+ is found to stabilize the ground state more than the transition state, while Na+, K+, and Cs+ all stabilize the transition state more than the ground state. The trend in the magnitude of the transition state stabilization is interpreted in terms of interactions of the transition state with bare or solvated metal ions. It is concluded that the transition state for the reaction of 1 with ethoxide forms solvent separated ion pairs with alkali metal ions. Analogous data were available for the reaction of p-nitrophenyl diphenylphosphinate (2) with ethoxides, where Li+, Na+, K+, and Cs+ all function as catalysts, and the results are analyzed as above. In contrast to the sulfonate system, it is proposed that the phosphinate transition state forms contact ion pairs with alkali metal ions. The difference is attributed to a greater localization of negative charge in the phosphinate transition state, leading to stronger interactions with metal ions, which overcome metal ion – solvent interactions. Keywords: nucleophilic substitution at sulfur, alkali metal ion catalysis.

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15

Wang, Shuai, Yufeng Guo, Kuo Liu, Zhuang Yang, Yajing Liu, Ying Jiang, Feng Chen, Fuqiang Zheng, and Lingzhi Yang. "The Deposit Formation Mechanism in Coal-Fired Rotary Kiln for Iron Ore Pellet Production: A Review." Crystals 11, no. 8 (August 17, 2021): 974. http://dx.doi.org/10.3390/cryst11080974.

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The deposit-forming problem is one of the main bottlenecks restricting the yield and production benefit of iron ore pellets produced by coal-fired rotary kilns. In order to implement measures to ensure the efficient production of pellets by coal-fired rotary kilns, the mechanism and influencing factors on the deposit formation were reviewed. The pellet powder and coal ash come together to form the material base of the deposit. Meanwhile, the local reducing atmosphere caused by the continued combustion of residual carbon increases the FeO content, resulting in the formation of low-melting-point silicates. Moreover, alkali metal elements in coal ash can also promote liquid phase formation to cause serious deposit aggregation problems. During high-temperature roasting, the liquid phase corrodes the surface of the refractory brick to form the initial deposit, whereafter, it binds the pellet powder and coal ash from the material layer, which causes the deposit to accumulate continuously. The deposit formation of coal-fired rotary kilns is the result of interaction between many factors, which includes the quality of the green pellets, the composition of coal ash, the combustion efficiency of pulverized coal, roasting temperature, FeO content and alkali metal input. Finally, it is recommended that some measures to mitigate deposit formation can be adopted, such as increasing the compression strength of preheated pellets, choosing high-quality raw materials with low alkali metals, improving the combustion of pulverized coal.

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16

Boroznina, Natalia, Irina Zaporotskova, Sergey Boroznin, and Yulia Bakhracheva. "Computer simulation of the sensory interaction of carbon nanotubes with various modifications in relation to alkali metal atoms." Journal of Physics: Conference Series 1479 (March 2020): 012092. http://dx.doi.org/10.1088/1742-6596/1479/1/012092.

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17

Sharma, Sangita, Jayesh Ramani, Dhara Patel, Ketan Patel, and Mahesh Kadiya. "Evaluation of Stability of Complexes of Inner Transition Metal Ions with 2-Oxo-1-pyrrolidine Acetamide and Role of Systematic Errors." E-Journal of Chemistry 8, no. 4 (2011): 1965–71. http://dx.doi.org/10.1155/2011/147082.

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BEST FIT models were used to study the complexation of inner transition metal ions like Y(III), La(III), Ce(III), Pr(III), Nd(III), Sm(III), Gd(III), Dy(III) and Th(IV) with 2-oxo-1-pyrrolidine acetamide at 30°C in 10%, 20, 30, 40, 50% and 60% v/v dioxane-water mixture at 0.2 M ionic strength. Irving Rossotti titration method was used to get titration data. Calculations were carried out with PKAS and BEST Fortran IV computer programs. The expected species like L, LH+, ML, ML2and ML(OH)3, were obtained with SPEPLOT. Stability of complexes has increased with increasing the dioxane content. The observed change in stability can be explained on the basis of electrostatic effects, non electrostatic effects, solvating power of solvent mixture, interaction between ions and interaction of ions with solvents. Effect of systematic errors like effect of dissolved carbon dioxide, concentration of alkali, concentration of acid, concentration of ligand and concentration of metal have also been explained here.

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18

Fedorov, Anatolii, Yurii Chekryshkin, and Aleksei Gorbunov. "Studies of Recycling of Poly(vinyl chloride) in Molten Na, Ca ‖ NO3, OH Systems." ISRN Chemical Engineering 2012 (May 22, 2012): 1–6. http://dx.doi.org/10.5402/2012/768134.

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The interaction of poly(vinyl chloride) (PVC) with components of molten inorganic systems at the temperature range 200–500°C was studied by a combination of thermogravimetric and differential-thermal methods. The results of this study show that the melts of alkali and alkaline-earth metal nitrates can be used for utilization of wastes of halogen-containing polymeric materials. It was established that unique solid products of interaction of PVC with components of the Ca(NO3)2–Ca(OH)2 mixes are ecologically safe calcium chloride and carbonate. Their formation proceeds in three stages including reactions of PVC dehydrochlorination, interactions of formed hydrocarbon residue and hydrogen chloride with calcium hydroxide and calcium nitrate, oxidation of the hydrocarbon residue, and carbonation of calcium hydroxide. A scheme for the oxidative degradation of PVC and for the binding of chlorine and carbon from the polymer in the reactions with components of Ca(NO3)2–NaNO3 and Ca(NO3)2–Ca(OH)2 mixtures was suggested, involving a series of consecutive and parallel reactions.

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19

Jalalabadi, Tahereh, Behdad Moghtaderi, and Jessica Allen. "Thermochemical Conversion of Biomass in the Presence of Molten Alkali-Metal Carbonates under Reducing Environments of N2 and CO2." Energies 13, no. 20 (October 15, 2020): 5395. http://dx.doi.org/10.3390/en13205395.

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The impact of N2 and CO2 atmospheres on the interaction between Eucalyptus pilularis biomass and a ternary molten carbonate eutectic (Li2CO3: Na2CO3: K2CO3) has been investigated at 600 °C and 900 °C. For lower temperature conversion under CO2, prevention of volatile release in the eutectic treated biomass is slightly higher than under N2 injection; however, similar bubble-shaped morphology of the remnant char is observed under both carrier gases. By increasing the temperature to 900 °C under CO2, the reverse Boudouard reaction begins to consume carbon fuel, while molten carbonate gasification also accelerates the reaction to a lower temperature set point (shifted from ~735 °C to ~640 °C). The mass loss of carbonate under CO2 and N2 at 900 °C is 0 (negligible) and 18 wt.%, respectively. In the absence of carbon particles, the decomposition of carbonate to M2O (l) and CO2 (g), as well as molten salt vaporization, are the sole potential routes of weight loss in an inert gas. Previous observations of biomass and eutectic mixture thermochemical conversion under N2 have suggested carbon/carbonate gasification is dominant at elevated temperatures, with production of CO expected. However, analysis of gas chromatography (GC) suggests that carbon/carbonate gasification is the weaker pathway by producing only 7 vol.% of CO, compared with molten carbonate decomposition with 27 vol.% CO2 emission for this system.

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20

Lackey, Damian, and David A. King. "Chemical and electrostatic interactions between alkali metals and carbon monoxide on metal single-crystal surfaces." Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases 83, no. 7 (1987): 2001. http://dx.doi.org/10.1039/f19878302001.

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21

Politi, J. R. S., J. B. L. Martins, and B. J. C. Cabral. "A first principles approach to the interactions of alkali metal atoms with carbon quantum dots." Computational Materials Science 197 (September 2021): 110614. http://dx.doi.org/10.1016/j.commatsci.2021.110614.

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22

Vasil’kov, Alexander, Margarita Rubina, Alexander Naumkin, Mikhail Buzin, Pavel Dorovatovskii, Georgy Peters, and Yan Zubavichus. "Cellulose-Based Hydrogels and Aerogels Embedded with Silver Nanoparticles: Preparation and Characterization." Gels 7, no. 3 (July 2, 2021): 82. http://dx.doi.org/10.3390/gels7030082.

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The paper presents the preparation and characterization of novel composite materials based on microcrystalline cellulose (MCC) with silver nanoparticles (Ag NPs) in powder and gel forms. We use a promising synthetic conception to form the novel composite biomaterials. At first MCC was modified with colloidal solution of Ag NPs in isopropyl alcohol prepared via metal vapor synthesis. Then Ag-containing MCC powder was used as precursor for further preparation of the gels. The hydrogels were prepared by dissolving pristine MCC and MCC-based composite at low temperatures in aqueous alkali solution and gelation at elevated temperature. To prepare aerogels the drying in supercritical carbon dioxide was implemented. The as-prepared cellulose composites were characterized in terms of morphology, structure, and phase composition. Since many functional properties, including biological activity, in metal-composites are determined by the nature of the metal-to-polymer matrix interaction, the electronic state of the metal was carefully studied. The studied cellulose-based materials containing biologically active Ag NPs may be of interest for use as wound healing or water-purification materials.

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23

Kalinkin, A. M., E. V. Kalinkina, O. A. Zalkind, and T. I. Makarova. "Mechanochemical interaction of alkali metal metasilicates with carbon dioxide: 2. The influence of thermal treatment on the properties of activated samples." Colloid Journal 70, no. 1 (February 2008): 42–47. http://dx.doi.org/10.1134/s1061933x08010079.

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24

Wang, Li Li, Yong Jian Tang, Chao Yang Wang, and Jian Bo Liu. "Molecular Dynamics Simulations on Hydrogen Adsorption in Li Doped Single Walled Carbon Nanotube." Advanced Materials Research 550-553 (July 2012): 2712–18. http://dx.doi.org/10.4028/www.scientific.net/amr.550-553.2712.

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This work presents a first-principles molecular dynamics study of hydrogen storage in Li doped single-wall carbon nanotubes (SWCNTs). The decomposition and adsorption between Li atom and H2 molecular are studied by bonds analysis and energy evolvement of interaction process. The modify effects of Li doped SWCNTs are studied by band structure and of states density analysis, as well as the structure transformation of SWCNTs. The enhanced hydrogen storage in Li doped SWCNTs at room temperature and common pressure is studied by first principles molecular dynamics simulation. The relationship between dope position of Li atoms and hydrogen storage also studied, and finally confirm the best dope position and provide a reference for the further research of alkali metals doped CNT.

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Pullumbi, P., Y. Bouteiller, and J. P. Perchard. "A density functional theory study of the alkali metal atom–carbon monoxide interactions: Singularity of the Li atom." Journal of Chemical Physics 102, no. 14 (April 8, 1995): 5719–24. http://dx.doi.org/10.1063/1.469302.

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Micha-Screttas, Maria, Georgios A. Heropoulos, and Barry R. Steele. "Interaction between alkali metal aromatic ketone radical anions and the chlorides of lithium and magnesium in solution. A case of a carbon–carbon bond strengthening through complex formation." Journal of the Chemical Society, Perkin Transactions 2, no. 12 (1999): 2685–90. http://dx.doi.org/10.1039/a906337d.

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Kato, Shinzi, Nobuyuki Kitaoka, Osamu Niyomura, Yuka Kitoh, Takahiro Kanda, and Masahiro Ebihara. "Heavy Alkali Metal Arenedithiocarboxylates: A Facile Synthesis, Dimeric Structure, and Nonbonding Interaction between the Metals and Aromatic Ring Carbons." Inorganic Chemistry 38, no. 3 (February 1999): 496–506. http://dx.doi.org/10.1021/ic9808089.

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Jung, Jae-Heon, So-Yeong Lee, Joo Choi, and Ho-Sang Sohn. "Dispersion Behavior of Blast Furnace Sludge for Valuable Metal Recovery." Korean Journal of Metals and Materials 59, no. 5 (May 5, 2021): 295–303. http://dx.doi.org/10.3365/kjmm.2021.59.5.295.

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Blast furnace sludge, which comes from the iron making process, contains many valuable materials including iron, carbon, and zinc, etc. Because a cohesive agent is added during filtration, fine sludge particles are agglomerated together. Therefore, This makes it necessary to disperse the sludge in solution before separating or recovering valuable materials. In this study, the effects of solid/liquid (g/L) ratio, ultrasonic dispersion conditions, the pH of solvent, and the concentration of dispersant on the dispersion of sludge were investigated by measuring the interfacial properties (zeta potential and hydrodynamic size) of sludge particles. High absolute value of zeta potential and small hydrodynamic size suggests that the sludge particles in the solution presents good dispersion. The absolute value of zeta potential increased gradually at high solid/liquid ratio and ultrasonic dispersion intensity. But when the sludge in solution was dispersed for more than 30 minutes, the absolute value of the zeta potential decreased due to increasing contact and interaction between the particles. Optimal dispersion operations were conducted and when the pH of the solution was adjusted to 11, the zeta potential value was measured to be -44.8 mV. This means that the sludge formed the most stable dispersed phase. The lowest zeta potential was measured to be -46.4 mV with the addition of sodium hexametaphosphate (NaPO3)6 in the solution. It is thought that the sodium hexametaphosphate reduced ionic strength by removing alkali metal ions from the solution of sludge.

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Shen, Tianxu, Jiang Zhang, Laihong Shen, Lei Bai, and Jingchun Yan. "Chemical Looping Co-Gasification Characteristics of Cyanobacterial/Coal Blends." Energies 13, no. 9 (May 8, 2020): 2352. http://dx.doi.org/10.3390/en13092352.

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The frequent outbreak of cyanobacteria bloom results in an urgent need for the resource utilization of cyanobacteria. However, the development of routine thermal treatment (i.e., gasification and pyrolysis) is hindered by the issue of high moisture content. In order to minimize the dewatering requirement, this study investigated the chemical looping co-gasification of the cyanobacteria/coal mixture. The results showed that the residual moisture of cyanobacteria not only could serve as the gasifying agent of coal, but also presented a better gasification effect than the injecting steam. Meanwhile, blending cyanobacteria also improved the performance of coal chemical looping gasification in terms of the syngas quality, gasification rate, and carbon conversion efficiency. Cyanobacteria pyrolysis supplied abundant hydrocarbons and hydrogen-rich gases. The highest syngas yield of 1.26 Nm3/kg was obtained in the mixture fuel of 46 wt.% cyanobacteria and 54 wt.% coal under a 0.3 oxygen carrier-to-fuel ratio. A slight interaction effect was observed in the pyrolysis process, in which the reactivity of coal pyrolysis was enhanced by the oxygenated groups of cyanobacteria volatile. The dominant motive of the interaction effect was the catalytic effect of alkali metals of cyanobacteria ash on the coal gasification. However, the formation of aluminosilicates deactivated alkali metals and further inhibited the char gasification. The intensity of interaction effect was demonstrated to be highly relevant with the (Na + K)/Al molar ratio of ash. The most prominent interaction effect occurred for the sample with 82 wt.% cyanobacteria, but a negative interaction was observed in the sample with 10 wt.% cyanobacteria. Both homogeneous reaction and shrinking core models showed the excellent fitting performance in the char gasification process. However, these two models could not be applied to the initial pyrolysis process because of the intricate mechanisms.

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30

Förster, Horst, and Monika Schumann. "Infrared spectroscopic studies on carbon dioxide adsorption in alkali-metal and alkaline-earth-metal ion-exchanged A-type zeolites. Part 1.—General features of CO2 interaction with A-type zeolites." Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases 85, no. 5 (1989): 1149. http://dx.doi.org/10.1039/f19898501149.

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31

Pasti, Igor, Ana Dobrota, Nemanja Gavrilov, Gordana Ciric-Marjanovic, and Slavko Mentus. "Effects of alkali metal cations on oxygen reduction on N-containing carbons viewed as the interplay between capacitive and electrocatalytic properties: Experiment and theory." Journal of the Serbian Chemical Society 84, no. 8 (2019): 901–14. http://dx.doi.org/10.2298/jsc190426072p.

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The development of new electrocatalysts for the oxygen reduction reaction (ORR) is crucial for the sustainable energy economy. Both fundamental understanding of surface processes under operating conditions and suitable ORR activity measurements are necessary to select the best electrocatalyst candidate. In the present study, to contribute to this matter, we show that both the nature of alkali metal cations (Li+, Na+ and K+), composing supporting aqueous hydroxide solution, as well as the potential sweep rate in rotating disk electrode voltammetry measurements, influence the results of measurements of ORR activities of N-containing nanocarbons. Based on density functional theory calculations, we concluded that the specific interactions of hydrated cations with oxygen functional groups are responsible for such behaviour, leading to a close interplay between the electrode double layer charging and the parallel Faradaic process on carbon surface. From a practical point of view, the presented results indicate that it is necessary to standardize carefully the ORR measurements on different carbon materials.

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32

Kou, Xuesen, Jing Jin, Yongzhen Wang, Yanhui Li, and Fengxiao Hou. "The Catalysis Effect of Na and Point Defect on NO Heterogeneous Adsorption on Carbon during High-Sodium Zhundong Coal Reburning: Structures, Interactions and Thermodynamic Characteristics." Catalysts 11, no. 9 (August 29, 2021): 1046. http://dx.doi.org/10.3390/catal11091046.

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The reburning process in a furnace, a key way to reduce NOx emissions, is a heterogeneous reaction during coal combustion, in which the heterogeneous adsorption is dominant. Zhundong coal with a high content of alkali metal can enhance the reburning process. In this paper, the influence of sodium and a defect on NO heterogeneous adsorption was studied by the density functional theory, and the thermodynamic characteristic was also analyzed. The results indicate that the binding energy for NO adsorption on the pristine graphene surface (graphene-NO), Na-decorated pristine graphene surface (graphene-Na-NO), defect graphene surface (gsv-NO) and Na-decorated defect graphene (gsv-Na-NO) is −5.86, −137.12, −48.94 and −74.85 kJ/mol, respectively, and that the heterogeneous adsorption is an exothermic reaction. Furthermore, except for covalent bonds of C and N, C and O for gsv-NO, other interactions are a closed-shell one, based on the analysis of AIM, ELF and IGM. The area of electron localization for NO is graphene-Na-NO > gsv-Na-NO > gsv-NO > graphene-NO. The dispersion interaction is the main interaction force between NO and the pristine graphene surface. The δg index for the atom pairs about N–C and O–C on the pristine graphene surface is also the smallest. The density of spikes at graphene-Na-NO is bigger than that at gsv-Na-NO. Moreover, the thermodynamics characteristic showed that the reaction equilibrium constant of graphene-NO is less than those on the other surfaces under the same temperature. Thus, NO on the pristine graphene surface is the most difficult to adsorb, but the presence of sodium and a defect structure can promote its adsorption.

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33

Cohen, B. N., C. Labarca, N. Davidson, and H. A. Lester. "Mutations in M2 alter the selectivity of the mouse nicotinic acetylcholine receptor for organic and alkali metal cations." Journal of General Physiology 100, no. 3 (September 1, 1992): 373–400. http://dx.doi.org/10.1085/jgp.100.3.373.

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We measured the permeability ratios (PX/PNa) of 3 wild-type, 1 hybrid, 2 subunit-deficient, and 22 mutant nicotinic receptors expressed in Xenopus oocytes for alkali metal and organic cations using shifts in the bi-ionic reversal potential of the macroscopic current. Mutations at three positions (2', 6', 10') in M2 affected ion selectivity. Mutations at position 2' (alpha Thr244, beta Gly255, gamma Thr253, delta Ser258) near the intracellular end of M2 changed the organic cation permeability ratios as much as twofold and reduced PCs/PNa and PK/PNa by 16-18%. Mutations at positions 6' and 10' increased the glycine ethyl ester/Na+ and glycine methyl ester/Na+ permeability ratios. Two subunit alterations also affected selectivity: omission of the delta subunit reduced PCs/PNa by 16%, and substitution of Xenopus delta for mouse delta increased Pguanidinium/PNa more than twofold and reduced PCs/PNa by 34% and PLi/PNa by 20%. The wild-type mouse receptor displayed a surprising interaction with the primary ammonium cations; relative permeability peaked at a chain length equal to four carbons. Analysis of the organic permeability ratios for the wild-type mouse receptor shows that (a) the diameter of the narrowest part of the pore is 8.4 A; (b) the mouse receptor departs significantly from size selectivity for monovalent organic cations; and (c) lowering the temperature reduces Pguanidinium/PNa by 38% and Pbutylammonium/PNa more than twofold. The results reinforce present views that positions -1' and 2' are the narrowest part of the pore and suggest that positions 6' and 10' align some permeant organic cations in the pore in an interaction similar to that with channel blocker, QX-222.

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34

Zhang, Yu, Dongdong Feng, Yijun Zhao, Heming Dong, Guozhang Chang, Cui Quan, Shaozeng Sun, and Yukun Qin. "Evolution of Char Structure During In-Situ Biomass Tar Reforming: Importance of the Coupling Effect Among the Physical-Chemical Structure of Char-Based Catalysts." Catalysts 9, no. 9 (August 24, 2019): 711. http://dx.doi.org/10.3390/catal9090711.

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In order to illustrate the importance of a coupling effect in the physical-chemical structure of char-based catalysts on in-situ biomass tar reforming, three typical char-based catalysts (graphite, Zhundong coal char, and sawdust biochar) were studied in the fixed-bed/fluidized-bed reactor. The physical-chemical properties of carbon-based catalysts associated with their catalytic abilities were characterized by inductively coupled plasma-atomic emission spectroscopy (ICP-AES), Raman, X-ray photoelectron spectroscopy (XPS), scanning electron microscope–energy dispersive spectrometer (SEM-EDS) and N2 adsorption. The relationship between the specific reactivity and tar reforming ability of carbon-based catalysts was discussed through a micro fluidized bed reaction analyzer (MFBRA–MR). The results indicate that the char-based catalyst has a certain removal ability for in-situ biomass tar of corn straw in an inert atmosphere, which is as follows: sawdust biochar > Zhundong (ZD) coal char > graphite. During the in-situ tar reforming, the alkali and alkaline earth metal species (AAEMs) act as adsorption/reaction sites, affecting the evolution of the aromatic ring structure and oxygen-containing functional groups of the char-based catalyst, and also its pore structure. AAEM species on the surface of char-based catalysts are the active sites for tar reforming, which promotes the increase of active intermediates (C-O bond and C-O-AAEMs), and enhances the interactions between char-based catalysts and biomass tar. The abundant AAEMs may lead to the conversion of O=C–O and C=O to C–O. For tar reforming, the internal pore structure of char-based catalysts is little changed, mainly with the carbon deposit forming on the surface pore structure. The carbon deposit from the reformation of straw tar on the char surface has better reactivity than the inherent carbon structure of ZD coal char and sawdust biochar. There is a positive relationship between the MFBRA–MR specific reactivity and tar catalytic reforming ability of char-based catalysts (decided by the coupling effect in their physical-chemical structure), which can be used to determine the catalytic ability of char-based catalysts on tar reforming directly.

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35

Do, Hyun-Kwon, Seong-Taek Yun, Soonyoung Yu, Yon-Gyung Ryuh, and Hyeon-Su Choi. "Evaluation of Long-Term Impacts of CO2 Leakage on Groundwater Quality Using Hydrochemical Data from a Natural Analogue Site in South Korea." Water 12, no. 5 (May 20, 2020): 1457. http://dx.doi.org/10.3390/w12051457.

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Three hydrochemical types of CO2-rich water (i.e., Na-HCO3, Ca-Na-HCO3 and Ca-HCO3) occur together in the silicate bedrock (granite and gneiss) of Gangwon Province in South Korea. As a natural analogue of geological carbon storage (GCS), this can provide implications for the environmental impacts of the leakage of CO2 from deep GCS sites. By using hydrochemical and isotopic datasets that were collected for previous and current studies, this study aimed to carefully scrutinize the hydrochemical differences in the three water types with an emphasis on providing a better understanding of the impacts of long-term CO2 leakage on groundwater quality (especially the enrichments of minor and trace metals). As a result, the Na-HCO3 type CO2-rich water contained higher Li, Rb and Cs than the Ca-HCO3 type, whereas Fe, Mn and Sr were higher in the Ca-HCO3 type than in the Na-HCO3 type despite the similar geological setting, which indicate that the hydrochemical differences were caused during different geochemical evolutionary processes. The δ18O and δD values and tritium concentrations indicated that the Na-HCO3 type was circulated through a deep and long pathway for a relatively long residence time in the subsurface, while the Ca-HCO3 type was strongly influenced by mixing with recently recharged water. These results were supported by the results of principal component analysis (PCA), whose second component showed that the Na-HCO3 type had a significant relation with alkali metals such as Li, Rb and Cs as well as Na and K and also had a strong relationship with Al, F and U, indicating an extensive water-rock interaction, while the Ca-HCO3 type was highly correlated with Ca, Mg, Sr, Fe and Mn, indicating mixing and reverse cation exchange during its ascent with hydrogeochemical evolution. In particular, the concentrations of Fe, Mn, U and Al in the CO2-rich water, the result of long-term water-rock interaction and cation exchange that was enhanced by CO2 leakage into silicate bedrock, exceeded drinking water standards. The study results show that the leakage of CO2 gas and CO2-rich fluid into aquifers and the subsequent hydrogeochemical processes can degrade groundwater quality by mobilizing trace elements in rocks and consequently may pose a health risk.

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36

Suzuki, Toshimitsu, Hiroyuki Ohme, and Yoshihisa Watanabe. "Alkali metal catalyzed carbon dioxide gasification of carbon." Energy & Fuels 6, no. 4 (July 1992): 343–51. http://dx.doi.org/10.1021/ef00034a003.

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37

Kendrick, D. A., J. R. Parsonage, and R. Vazifdar. "Interaction of alkali and alkali earth metal hydroxides with microsilica." Cement and Concrete Research 28, no. 11 (November 1998): 1537–44. http://dx.doi.org/10.1016/s0008-8846(98)00139-2.

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38

Kato, Tomohiko. "Attractive interaction between alkali-metal adatoms on metal surfaces." Physical Review B 47, no. 20 (May 15, 1993): 13895–98. http://dx.doi.org/10.1103/physrevb.47.13895.

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39

Hrbek, J., G. ‐Q Xu, T. K. Sham, and M. L. Shek. "Interaction of alkali‐metal overlayers with oxygen." Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 7, no. 3 (May 1989): 2013–15. http://dx.doi.org/10.1116/1.576004.

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40

Samuneva, B., P. Djambaski, and K. Avramova. "Interaction between glasses and alkali metal vapours." Journal of Non-Crystalline Solids 112, no. 1-3 (October 1989): 385–91. http://dx.doi.org/10.1016/0022-3093(89)90559-0.

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41

Misra, D. N. "Interaction of some alkali metal citrates with hydroxyapatite." Colloids and Surfaces A: Physicochemical and Engineering Aspects 141, no. 2 (November 1998): 173–79. http://dx.doi.org/10.1016/s0927-7757(98)00332-x.

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42

Heskett, D. "The interaction range in alkali metal-promoted systems." Surface Science 199, no. 1-2 (January 1988): 67–86. http://dx.doi.org/10.1016/0039-6028(88)90397-4.

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43

Fick, D., B. Horn, E. Koch, and U. Memmert. "Nuclear Quadrupole Interaction of Alkali-Metal Atoms Adsorbed on Metal Surfaces." Zeitschrift für Naturforschung A 41, no. 1-2 (February 1, 1986): 113–17. http://dx.doi.org/10.1515/zna-1986-1-216.

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A new technique is discussed for probing microscopic details o f surface charge distributionsusing beams o f thermal-velocity nuclear-spin-polarized atoms. The technique has made possibleone o f the first spin-relaxation and the first nuclear-spin-resonance experiments on single-crystalmetal surfaces.

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44

Xu, Xiangju, Chen Yang, Zhi Yang, Keqin Yang, and Shaoming Huang. "Carbon nanotube growth from alkali metal salt nanoparticles." Carbon 80 (December 2014): 490–95. http://dx.doi.org/10.1016/j.carbon.2014.08.088.

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45

Kosugi, Yoshio, Yoshio Imaoka, Fumisato Gotoh, Mohammad A. Rahim, Yoshihisa Matsui, and Kinya Sakanishi. "Carboxylations of alkali metal phenoxides with carbon dioxide." Organic & Biomolecular Chemistry 1, no. 5 (February 5, 2003): 817–21. http://dx.doi.org/10.1039/b210793g.

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46

Hague, C. F., J. M. Mariot, G. Indlekofer, P. Oelhafen, and H. J. Güntherodt. "Evidence for alkali-metal - carbon hybridization in KC8." Solid State Communications 66, no. 11 (June 1988): 1131–34. http://dx.doi.org/10.1016/0038-1098(88)91118-0.

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47

Bak, Young-Cheol, and Joo-Hong Choi. "Kinetics of Nitric Oxide Reduction with Alkali Metal and Alkali Earth Metal Impregnated Bamboo Activated Carbon." Korean Chemical Engineering Research 54, no. 5 (October 1, 2016): 671–77. http://dx.doi.org/10.9713/kcer.2016.54.5.671.

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48

Movre, Mladen, and Robert Beuc. "van der Waals interaction in excited alkali-metal dimers." Physical Review A 31, no. 5 (May 1, 1985): 2957–67. http://dx.doi.org/10.1103/physreva.31.2957.

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49

Strutynska, N. Yu, O. V. Livitska, I. V. Zatovsky, and N. S. Slobodyanik. "Interaction between Co2P4O12 and alkali metal nitrate (chloride) melts." Russian Journal of Inorganic Chemistry 59, no. 9 (August 31, 2014): 918–21. http://dx.doi.org/10.1134/s0036023614090241.

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50

Goryachev, B. E., and A. A. Nikolaev. "Galena and alkali metal xanthate interaction in alkaline conditions." Journal of Mining Science 48, no. 6 (November 2012): 1058–64. http://dx.doi.org/10.1134/s1062739148060159.

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