Influence mechanism of supports on the reactivity of Ni-based oxygen carriers for chemical looping reforming: A DFT study

Feng, Yuchuan; Wang, Nana; Guo, Xueyi

doi:10.1016/j.fuel.2018.04.160

Cited by 40 publications

(17 citation statements)

References 40 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Based on these results, they further studied the mechanism of NiO/ZrO 2 and NiO/MgAl 2 O 4 to clarify the role of supports that significantly decreased the energy barrier of CH 4 sequential dehydrogenation (S1) compared with unsupported NiO. In addition, the energy barrier of CO formation (S3), the rate‐limiting step, for Ni/ZrO 2 was lower than that for NiO/MgAl 2 O 4 resulted from higher activity of surface oxygen, which accounted for its relatively better reactivity for CLR of CH 4 [18] …”

Section: Oxygen Carriersmentioning

confidence: 99%

Recent Advances of Oxygen Carriers for Chemical Looping Reforming of Methane

et al. 2021

View full text Add to dashboard Cite

This review discussed recent advances of oxygen carriers (OCs) for chemical looping reforming (CLR) of CH4 which aims to generate high‐quality syngas, an important chemical intermediate for the synthesis of chemicals and fuels. We firstly introduced CLR and that combined with CO2 and H2O splitting as well as clarified their advantages over conventional reforming processes. Then we reviewed the latest advances of metal‐based OCs, composite OCs including perovskites and hexaaluminates, and catalytic OCs, namely oxygen‐containing materials with catalytically metal sites, during the past five years. Specific discussion focused on the influence of composition, surface, and bulk structure of these OCs on conversion, selectivity, and lattice oxygen reactivity to summarize design and optimization strategies of the tailored OCs. Finally, a brief summary and an outlook on some of the scientific challenges and suggestions for future investigations on the development of outstanding OCs for CLR of CH4 are given.

show abstract

Section: Oxygen Carriersmentioning

confidence: 99%

Recent Advances of Oxygen Carriers for Chemical Looping Reforming of Methane

et al. 2021

View full text Add to dashboard Cite

show abstract

“…Nickel-based catalysts have also been widely used in ODH reactions. In particular, NiO has been shown to activate the C-H bond of light alkanes [30][31][32]. Guo et al [30] studied CH 4 activation over NiO-based catalysts by using NiO/ZrO 2 and NiO/MgAl 2 O 4 as the model catalysts and found that ZrO 2 enhances the activity of NiO for C-H activation by weakening the Ni-O bonds.…”

Section: Introductionmentioning

confidence: 99%

“…In particular, NiO has been shown to activate the C-H bond of light alkanes [30][31][32]. Guo et al [30] studied CH 4 activation over NiO-based catalysts by using NiO/ZrO 2 and NiO/MgAl 2 O 4 as the model catalysts and found that ZrO 2 enhances the activity of NiO for C-H activation by weakening the Ni-O bonds. Liu et al [32] studied the ODH of ethane on the NiO catalyst on the basis of the results of density functional theory (DFT) calculations and found that NiO(100) and NiO(110) exhibited different activities toward ethane ODH.…”

Section: Introductionmentioning

confidence: 99%

Balancing the Activity and Selectivity of Propane Oxidative Dehydrogenation on NiOOH (001) and (010)

Liu

Wang

Han

et al. 2020

Trans. Tianjin Univ.

View full text Add to dashboard Cite

Propane oxidative dehydrogenation (ODH) is an energy-efficient approach to produce propylene. However, ODH suffers from low propylene selectivity due to a relatively higher activation barrier for propylene formation compared with that for further oxidation. In this work, calculations based on density functional theory were performed to map out the reaction pathways of propane ODH on the surfaces (001) and (010) of nickel oxide hydroxide (NiOOH). Results show that propane is physisorbed on both surfaces and produces propylene through a two-step radical dehydrogenation process. The relatively low activation barriers of propane dehydrogenation on the NiOOH surfaces make the NiOOH-based catalysts promising for propane ODH. By contrast, the weak interaction between the allylic radical and the surface leads to a high activation barrier for further propylene oxidation. These results suggest that the catalysts based on NiOOH can be active and selective for the ODH of propane toward propylene.

show abstract

“…• NiO supported on TiO deactivated [175] with the formation of NiTiO 3 [176,177], which possesses smaller reaction rates [24,169,178]. • TiO supports are usually not used for Mn-based oxygen carriers due to lower reaction rates, although CLOU behavior still remains [179].…”

mentioning

confidence: 99%

“…Selecting specific support may also enhance the selectivity and reactivity of a certain active phase in chemical looping as, in some cases, the interaction between support and active phase seems to activate certain reactions at the surface. It has been shown by DFT calculations that the interaction between ZrO 2 supports and the Ni-based active phase could limit the strength of the Ni-O bond, which could lead to improved CO formation (and decreased carbon-deposition) after sequential methane dehydrogenation [175]. One main downside to ZrO 2 -supported oxygen carriers is its higher cost compared to other materials, such as Al 2 O 3 .…”

mentioning

confidence: 99%

Development of Stable Oxygen Carrier Materials for Chemical Looping Processes—A Review

et al. 2020

View full text Add to dashboard Cite

This review aims to give more understanding of the selection and development of oxygen carrier materials for chemical looping. Chemical looping, a rising star in chemical technologies, is capable of low CO2 emissions with applications in the production of energy and chemicals. A key issue in the further development of chemical looping processes and its introduction to the industry is the selection and further development of an appropriate oxygen carrier (OC) material. This solid oxygen carrier material supplies the stoichiometric oxygen needed for the various chemical processes. Its reactivity, cost, toxicity, thermal stability, attrition resistance, and chemical stability are critical selection criteria for developing suitable oxygen carrier materials. To develop oxygen carriers with optimal properties and long-term stability, one must consider the employed reactor configuration and the aim of the chemical looping process, as well as the thermodynamic properties of the active phases, their interaction with the used support material, long-term stability, internal ionic migration, and the advantages and limits of the employed synthesis methods. This review, therefore, aims to give more understanding into all aforementioned aspects to facilitate further research and development of chemical looping technology.

show abstract

Influence mechanism of supports on the reactivity of Ni-based oxygen carriers for chemical looping reforming: A DFT study

Cited by 40 publications

References 40 publications

Recent Advances of Oxygen Carriers for Chemical Looping Reforming of Methane

Recent Advances of Oxygen Carriers for Chemical Looping Reforming of Methane

Balancing the Activity and Selectivity of Propane Oxidative Dehydrogenation on NiOOH (001) and (010)

Development of Stable Oxygen Carrier Materials for Chemical Looping Processes—A Review

Contact Info

Product

Resources

About