Catalysis by Brönsted bases of the reaction between CO<sub>2</sub>and water

Sharma, Man Mohan; Danckwerts, P.V.

doi:10.1039/tf9635900386

Cited by 71 publications

(25 citation statements)

References 24 publications

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“…The kinetics of the reaction of carbon dioxide in aqueous alkaline solutions has been studied by a number of workers (Himmelblau and Babb, 1958;Sharma and Danckwerts, 1963;Roughton, 1954 and1956). The temperature dependency of the reaction velocity constant for the reaction between dissolved carbon dioxide and hydroxyl ion has been well established (Pinsent et al, 1956), but its dependency upon the total ionic strength of the aqueous phase and upon the nature of any nonreacting ionic species present has been studied in only a limited number of systems (Sharma and Danckwerts, 1963b;Pinsent et al, 1956).…”

Section: Simultaneous Evaluation Of K L and Cymentioning

confidence: 99%

Simultaneous measurement of interfacial area and mass transfer coefficients for a well—mixed gas dispersion in aqueous electrolyte solutions

Robinson

Wilke

1974

AIChE Journal

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A new measuring technique involving concurrent chemical absorption of carbon dioxide and desorption of oxygen is developed for simultaneously evaluating the liquid-phase mass transfer coefficient k~, and the specific area a of sparingly-soluble gas dispersions in stirred tanks containing an aqueous solution of inorganic electrolytes. The method ensures that k L and a are evaluated under consistent hydrodynamic conditions.Results from three different nonviscous systems show that at high agitation power, such that the average bubble diameter is between 0.2 and 2 mm, k L decreases with increasing power input and is dependent on the bubble diameter. This behavior is in contrast to the results of others at lower agitation levels or in nonelectrolytic liquids, but in general agreement with previous results for bubbles of the same diameter range produced in viscous, nonelectrolytic solutions. In the absence of a sufficiently fast chemical reaction in the liquid phase, the gas absorption rate capability of a particular stirred tank design customarily has been characterized by the overall volumetric mass transfer coefficient KLa. It would seem preferable, however, to be able to predict K L u from separate correlations for its constituent parameters K L and a since their values are predominantly dependent upon distinctly different phyqicochemical parameters of the system. In previous studies k L has been shown both theoretically (Higbie, 1935; Danckwerts, 1951) and experimentally (Calderbank and Moo-Young, 1961) to be dependent primarily upon liquidphase diffusivity and viscosity. On the other hand, a is dependent primarily upon interfacial tension for pure liquids or nonelectrolyte solutions (Calderbank, 1958) or upon ionic strength in solutions of inorganic electrolytes exhibiting Newtonian rheological behavior (Robinson and Wilke, 1971). CAMPBELLDirect measurement of k L in stirred tank gas dispersions is not possible. However, given separate evaluations of K L u and a for sparingly soluble gases wherein the major resistance to mass transfer resides in the liquid phase, the liquid-phase mass transfer coefficient k, may be computed No general correlations for either JcL or a applicable to stirred tank gas dispersions in aqueous electrolyte solutions have yet been developed. The purpose of the present study was to develop and to conduct preliminary experimental tests of a new technique by means of which k L and a could be simultaneously evaluated under consistent physico-chemical and hydrodynamic conditions in aqueous electrolyte solutions having a wide variation in both composition and ionic strength.Experimentally, the new technique involves unsteady state desorption of oxygen from an aqueous electrolyte solution containing a controlled, low concentration of hydroxyl ion accompanied by concurrent, pseudo steady state absorption with chemical reaction of carbon dioxide from the sparged gas. The oxygen desorption rate is measured by a dissolved oxygen probe, the response of which, after correction for the diffusional l...

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Section: Simultaneous Evaluation Of K L and Cymentioning

confidence: 99%

Simultaneous measurement of interfacial area and mass transfer coefficients for a well—mixed gas dispersion in aqueous electrolyte solutions

Robinson

Wilke

1974

AIChE Journal

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“…Aqueous CO 2 absorption has been reported to be supported by borate, 14,15 arsenite, 16−19 phosphate, 19 silicate, 19 vanadate, 20−22 sulfate, 22 hypochlorite, 16,18 and nickel nanoparticles. 23−25 Further, K 2 CO 3 has been reported to improve CO 2 aqueous absorption with implications to large scale carbon capture.…”

Section: Introductionmentioning

confidence: 99%

Computational Insights into Biomimetic CO₂ Hydration Activities of (Poly)borate Ions

Verma

Deshpande

2017

J. Phys. Chem. C

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Borate-based compounds have been observed to be CO 2 capture agents in natural and synthetic setups. Carbon capture in such systems has been proposed to take place via hydration of CO 2 resulting in bicarbonate ion formation. Several experimental studies have reported borate-based catalysts for CO 2 hydration reaction, and the mechanism of the reaction has been proposed to follow the enzymatic carbonic anhydrase action. In view of the absence of detailed physical insights into the mechanistic aspects of borate-catalyzed CO 2 hydration, computational investigations were carried out in this study under the density functional theory framework to explain the mechanism of the reaction over borate-based systems. Three borate-based systems, namely, borate ions, triborate ions, and tetraborate ions, were tested as the catalysts for the aqueous phase carbon capture reaction. Free energy landscapes provided the details of the elementary steps of the reaction, concluding the mechanism of the reaction to be indeed biomimetic consisting of parallel and bent CO 2 complexation, intramolecular proton transfer, bicarbonate ion complex formation and displacement of bicarbonate ion by water molecule to form (poly)borate−water complexes. All three ions were found to be active for catalyzing the reaction. NMR and FTIR spectra of all the intermediates proposed during the biomimetic mechanism were computed and compared against the experimentally reported spectra. The comparative analyses proved the identities of the intermediates, thus further confirming the mechanism of the reaction.

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“…Their kinetics have been investigated by several authors ( [2][3][4][5] for chlorine, [6][7][8][9] for cyanogen halides, and [10][11][12][13] for carbon dioxide). Although for reactions (I) and (II) insufficient data are available to ascertain the existence of LFER and for reaction (III) properties other than basic strength [13] play an important role, all three are undoubtedly base catalyzed (4, 6,7,[10][11][12][13]. The shift in equilibrium can therefore not be due merely to the fact that the base removes one of the hydrolysis products, H 3 0 +; instead, it is due primarily to a parallel reaction in which the catalyst attacks the substrate.…”

Section: (Iii)mentioning

confidence: 99%

The Role of Cations in Some Inorganic Hydrolysis Reactions

Perlmutter-Hayman

Wieder

Wolff

1973

Israel Journal of Chemistry

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Catalysis by Brönsted bases of the reaction between CO₂and water

Cited by 71 publications

References 24 publications

Simultaneous measurement of interfacial area and mass transfer coefficients for a well—mixed gas dispersion in aqueous electrolyte solutions

Simultaneous measurement of interfacial area and mass transfer coefficients for a well—mixed gas dispersion in aqueous electrolyte solutions

Computational Insights into Biomimetic CO₂ Hydration Activities of (Poly)borate Ions

The Role of Cations in Some Inorganic Hydrolysis Reactions

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Catalysis by Brönsted bases of the reaction between CO2and water

Cited by 71 publications

References 24 publications

Simultaneous measurement of interfacial area and mass transfer coefficients for a well—mixed gas dispersion in aqueous electrolyte solutions

Simultaneous measurement of interfacial area and mass transfer coefficients for a well—mixed gas dispersion in aqueous electrolyte solutions

Computational Insights into Biomimetic CO2 Hydration Activities of (Poly)borate Ions

The Role of Cations in Some Inorganic Hydrolysis Reactions

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Product

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Catalysis by Brönsted bases of the reaction between CO₂and water

Computational Insights into Biomimetic CO₂ Hydration Activities of (Poly)borate Ions