Effects of acid treatment on activated carbon used as a support for Rb and K catalyst for C2F5I synthesis and its mechanism

Mao, Aiqin; Wang, Hua; Tan, Linhua; Nin, Xiangyang; Pan, Renming

doi:10.1016/j.jfluchem.2011.05.032

Cited by 8 publications

(4 citation statements)

References 29 publications

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“…Since the iodine abstraction by :CF 2 CF 3 from molecular iodine in gas phase is spontaneous, C 2 F 5 I as a main product is yielded spontaneously when the I 2 exists. As the primary cause of catalyst inactivation, carbon deposit was observed in experiments [8,26,28]. Our calculations suggest that the carbon deposit is caused by the fluorine abstraction from :CCF (step 7).…”

Section: Discussion Related To Experimentsmentioning

confidence: 71%

“…In Mao's experiments of C 2 F 5 I synthesis over Rb-K/AC [26], the conversion of C 2 HF 5 , selectivity and yield of C 2 F 5 I were enhanced obviously by using the catalyst treated in HNO 3 , which increase primarily the content of carboxylic acids [21,27]. Consistent with these experiments, our calculations reveal that the AC-COOH can catalyze the C 2 HF 5 dehydrofluorination and lower the reaction barrier by 14.21 kcal mol -1 (step 1).…”

Section: Discussion Related To Experimentsmentioning

confidence: 99%

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Density functional theory study of C2F5I synthesis over activated carbon catalyst

Xue

Yang

et al. 2015

J Mol Model

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Quantum chemistry calculations based on the density functional theory (DFT) are carried out to investigate the reaction mechanism of C2F5I synthesis catalyzed by activated carbon. The possible adsorption configurations of fluorocarbon intermediates are analyzed carefully. Also, the related transition states and reaction pathway are analyzed. According to calculation, firstly, the dehydrofluorination of C2HF5, as the rate-determining step, is catalyzed by the carboxyl acid groups. Secondly, the tetrafluoroethylidene radicals disproportionate on graphite (001) surface instead of rearrangement or dimerization. Next, the fluorine abstractions between fluorocarbon intermediates over graphite (001) surfaces proceed successfully. Finally, the desorbed pentafluoroethyl abstracts iodine atom from molecular iodine spontaneously to afford C2F5I. In adition, our calculations reveal that the carbon deposit in experiment is caused by the fluorine abstraction from fluoroethinyl. The suggested mechanism corresponds with our calculations and available experiments.

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Section: Discussion Related To Experimentsmentioning

confidence: 71%

Section: Discussion Related To Experimentsmentioning

confidence: 99%

Density functional theory study of C2F5I synthesis over activated carbon catalyst

Xue

Yang

et al. 2015

J Mol Model

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“…Therefore, to prevent possible drawbacks of liquid absorbents, the solid adsorbents, especially carbonaceous materials, are possible alternatives [15]. Activated carbons, depending of the source of a precursor, may contain inorganic matter, also known as ash [16,17]. The inorganic matter content in activated carbons due to its variety and complexity 2 Journal of Nanomaterials greatly impedes understanding of phenomena responsible for CO 2 sorption.…”

Section: Introductionmentioning

confidence: 99%

Impact on CO₂ Uptake of MWCNT after Acid Treatment Study

Zgrzebnicki

Krauze

Gęsikiewicz-Puchalska

et al. 2017

Journal of Nanomaterials

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Greenhouse effect is responsible for keeping average temperature of Earth's atmosphere at level of about 288 K. Its intensification leads to warming of our planet and may contribute to adverse changes in the environment. The most important pollution intensifying greenhouse effect is anthropogenic carbon dioxide. This particular gas absorbs secondary infrared radiation, which in the end leads to an increase of average temperature of Earth's atmosphere. Main source of CO 2 is burning of fossil fuels, like oil, natural gas, and coal. Therefore, to reduce its emission, a special CO 2 capture and storage technology is required. Carbonaceous materials are promising materials for CO 2 sorbents. Thus multiwalled carbon nanotubes, due to the lack of impurities like ash in activated carbons, were chosen as a model material for investigation of acid treatment impact on CO 2 uptake. Remarkable 43% enhancement of CO 2 sorption capacity was achieved at 273 K and relative pressure of 0.95. Samples were also thoroughly characterized in terms of texture (specific surface area measurement, transmission electron microscope) and chemical composition (X-ray photoelectron spectroscopy).

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“…In our previous report 12 , a consideration of the reaction mechanism for the formation of pentafluoroethyl iodide (C2F5I) via the reaction between C 2 HF 5 and I 2 suggested the reaction proceeds also via carbenes formed on the catalyst surface as intermediates. Based on this investigation, a new route for preparing CF 3 I was developed via a vapour-phase catalytic reaction between C 2 HF 5 and I 2 .…”

Section: Introductionmentioning

confidence: 99%

Preparation of Trifluoroiodomethane via Vapour-Phase Catalytic Reaction Between Pentafluoroethane and Iodine

Mao¹,

Wang²,

Tan³

et al. 2013

Asian J. Chem.

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A new route for preparing CF3I has been developed via a reaction between C2HF5 and I2. The influence of reaction temperature and active components of the catalysts on the amount of CF3I was investigated. The result suggests that the selectivity of the CF3I can be controlled by reaction conditions and active component of catalyst. The process for the formation of CF3I and by-products is also discussed.

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Effects of acid treatment on activated carbon used as a support for Rb and K catalyst for C2F5I synthesis and its mechanism

Cited by 8 publications

References 29 publications

Density functional theory study of C2F5I synthesis over activated carbon catalyst

Density functional theory study of C2F5I synthesis over activated carbon catalyst

Impact on CO₂ Uptake of MWCNT after Acid Treatment Study

Preparation of Trifluoroiodomethane via Vapour-Phase Catalytic Reaction Between Pentafluoroethane and Iodine

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Effects of acid treatment on activated carbon used as a support for Rb and K catalyst for C2F5I synthesis and its mechanism

Cited by 8 publications

References 29 publications

Density functional theory study of C2F5I synthesis over activated carbon catalyst

Density functional theory study of C2F5I synthesis over activated carbon catalyst

Impact on CO2 Uptake of MWCNT after Acid Treatment Study

Preparation of Trifluoroiodomethane via Vapour-Phase Catalytic Reaction Between Pentafluoroethane and Iodine

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Product

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Impact on CO₂ Uptake of MWCNT after Acid Treatment Study