☆ 4.7 Article

Mechanistic study of the effect of oxygen vacancy and sulfur poisoning on the reaction of copper ferrite spinel with CO during chemical-looping combustion

FUEL (2021)

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Journal

FUEL
Volume 299, Issue -, Pages -

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ELSEVIER SCI LTD
DOI: 10.1016/j.fuel.2021.120931

Keywords

Chemical-looping combustion; Copper ferrite spinel; CO reaction; Oxygen vacancy; Sulfur poisoning

Categories

Energy & Fuels Engineering, Chemical

Funding

  1. National Natural Science Foundation of China [51976071]
  2. Fundamental Research Funds for the Central Universities [2019kfyRCPY021]

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The oxygen vacancy and sulfur poisoning significantly affect the CO adsorption and oxidation processes on the copper ferrite surface, with static sulfur and dynamic sulfur showing different reaction mechanisms in CO oxidation.
The surface structure has a great influence on the chemistry property and performance of oxygen carrier used for chemical-looping combustion. Based on density functional theory and periodic structure model, the effect of oxygen vacancy and sulfur poisoning on the reaction of copper ferrite spinel with CO during chemical-looping combustion was systematically studied. The results show that Cu-O2 bridging site shows better activity towards CO adsorption on the O-defective and sulfur-poisoned copper ferrite surfaces. The adsorption energies of CO follow the order of Eads (perfect surface) > Eads (sulfur-poisoned surface) > Eads (O-defective surface). The energy barriers of CO oxidation over different surfaces are in the order of O-defective surface (Ea = 22.68 kJ/ mol) > sulfur-poisoned surface (Ea = 14.19 kJ/mol) > perfect surface (Ea = 4.85 kJ/mol). The oxygen vacancy and sulfur poisoning not only weaken the reactivity towards CO adsorption, but also have a disadvantageous impact on the CO oxidation process. For the sulfur-poisoned surface, the COS formation is kinetically unfavorable as compared to CO oxidation due to the higher energy barrier (27.13 kJ/mol).

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Singh, V. Singhal, T. Sinha, B. Sitar, M. Sitta, T. B. Skaali, G. Skorodumovs, M. Slupecki, N. Smirnov, R. J. M. Snellings, E. H. Solheim, C. Soncco, J. Song, A. Songmoolnak, F. Soramel, S. Sorensen, R. Spijkers, I. Sputowska, J. Staa, J. Stachel, I. Stan, P. J. Steffanic, S. F. Stiefelmaier, D. Stocco, I. Storehaug, M. M. Storetvedt, P. Stratmann, S. Strazzi, C. P. Stylianidis, A. A. P. Suaide, C. Suire, M. Sukhanov, M. Suljic, V. Sumberia, S. Sumowidagdo, S. Swain, A. Szabo, I. Szarka, U. Tabassam, S. F. Taghavi, G. Taillepied, J. Takahashi, G. J. Tambave, S. Tang, Z. Tang, J. D. Tapia Takaki, N. Tapus, L. A. Tarasovicova, M. G. Tarzila, A. Tauro, A. Telesca, L. Terlizzi, C. Terrevoli, G. Tersimonov, S. Thakur, D. Thomas, R. Tieulent, A. Tikhonov, A. R. Timmins, M. Tkacik, T. Tkacik, A. Toia, N. Topilskaya, M. Toppi, F. Torales-Acosta, T. Tork, A. G. Torres Ramos, A. Trifiro, A. S. Triolo, S. Tripathy, T. Tripathy, S. Trogolo, V. Trubnikov, W. H. Trzaska, T. P. Trzcinski, R. Turrisi, T. S. Tveter, K. Ullaland, B. Ulukutlu, A. Uras, M. Urioni, G. L. Usai, M. Vala, N. Valle, S. Vallero, L. V. R. van Doremalen, M. van Leeuwen, C. A. van Veen, R. J. G. van Weelden, P. Vande Vyvre, D. Varga, Z. Varga, M. Varga-Kofarago, M. Vasileiou, A. Vasiliev, O. Vazquez Doce, V. Vechernin, E. Vercellin, S. Vergara Limon, L. Vermunt, R. Vertesi, M. Verweij, L. Vickovic, Z. Vilakazi, O. Villalobos Baillie, G. Vino, A. Vinogradov, T. Virgili, V. Vislavicius, A. Vodopyanov, B. Volkel, M. A. Voelkl, K. Voloshin, S. A. Voloshin, G. Volpe, B. von Haller, I. Vorobyev, N. Vozniuk, J. Vrlakova, B. Wagner, C. Wang, D. Wang, M. Weber, A. Wegrzynek, F. T. Weiglhofer, S. C. Wenzel, J. P. Wessels, S. L. Weyhmiller, J. Wiechula, J. Wikne, G. Wilk, J. Wilkinson, G. A. Willems, B. Windelband, M. Winn, J. R. Wright, W. Wu, Y. Wu, R. Xu, A. K. Yadav, S. Yalcin, Y. Yamaguchi, K. Yamakawa, S. Yang, S. Yano, Z. Yin, I. -K. Yoo, J. H. Yoon, S. Yuan, A. Yuncu, V. Zaccolo, C. Zampolli, H. J. C. Zanoli, F. Zanone, N. Zardoshti, A. Zarochentsev, P. Zavada, N. Zaviyalov, M. Zhalov, B. Zhang, S. Zhang, X. Zhang, Y. Zhang, M. Zhao, V. Zherebchevskii, Y. Zhi, N. Zhigareva, D. Zhou, Y. Zhou, J. Zhu, Y. Zhu, G. Zinovjev, N. Zurlo

Summary: The first measurement of event-by-event antideuteron number fluctuations in high energy heavy-ion collisions is presented. It is found that produced antiprotons and antideuterons in these collisions exhibit a significant negative correlation. Comparisons are made with coalescence calculations and thermal-statistical model calculations, revealing discrepancies in describing the correlation between antiproton and antideuteron production.

PHYSICAL REVIEW LETTERS (2023)

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Article Polymer Science

Stretchable conductive Janus hydrogel with controllable porous structures for high-performance strain sensing

Shi-Yuan Zhang, Da-Wei Pan, Hai-Dong Fan, Lu Shi, Yi-Min Yang, Zhuang Liu, Xiao-Jie Ju, Rui Xie, Wei Wang, Liang-Yin Chu

Summary: A stretchable conductive Janus hydrogel with controllable porous structures is developed for highly sensitive monitoring of human motion. The hydrogel possesses dual-crosslinked polymeric networks and controllable Janus porous structures, showing fast response and good durability.

JOURNAL OF POLYMER SCIENCE (2023)

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Article Agriculture, Dairy & Animal Science

Microencapsulation protected Lactobacillus viability and its activity in modulating the intestinal microbiota in newly weaned piglets

Linyan Li, Fugui Yin, Xiaoyin Wang, Chongwu Yang, Hai Yu, Dion Lepp, Qi Wang, Martin Lessard, Luca Lo Verso, Martin Mondor, Chengbo Yang, Shaoping Nie, Joshua Gong

Summary: Microencapsulation protects Lactobacillus rhamnosus LB1 from high temperature damage during processing and storage. Dietary treatments with encapsulated LB1, particularly in combination with bovine colostrum, modulate pig intestinal microbiota.

JOURNAL OF ANIMAL SCIENCE (2023)

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Article Energy & Fuels

Preparation of surface modified nano-hydrotalcite and its applicaiton as a flow improver for crude oil

Yingna Du, Chen Huang, Wei Jiang, Qiangwei Yan, Yongfei Li, Gang Chen

Summary: In this study, anionic surfactants modified hydrotalcite was used as a flow improver for crude oil under low-temperature conditions. The modified hydrotalcite showed a significant viscosity reduction effect on crude oil. The mechanism of the modified hydrotalcite on viscosity and pour point of crude oil was explored through characterization and analysis of the modified hydrotalcite and oil samples.

FUEL (2024)

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Article Energy & Fuels

Effect of incorporated hybrid MIL-53(Al) and MWCNT into PES membrane for CO2/CH4 and CO2/N2 separation

Mohammad Saeid Rostami, Mohammad Mehdi Khodaei

Summary: In this study, a hybrid structure, MIL-53(Al)@MWCNT, was synthesized by combining MIL-53(Al) particles and -COOH functionalized multi-walled carbon nanotube (MWCNT). The hybrid structure was then embedded in a polyethersulfone (PES) polymer matrix to prepare a mixed matrix membrane (MMM) for CO2/CH4 and CO2/N2 separation. The addition of MWCNTs prevented MIL-53(Al) aggregation, improved membrane mechanical properties, and enhanced gas separation efficiency.

FUEL (2024)

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Article Energy & Fuels

Phase behaviour and physical properties of dimethyl ether (DME)/flue gas/ water/heavy oil systems under reservoir conditions

Yunlong Li, Desheng Huang, Xiaomeng Dong, Daoyong Yang

Summary: This study develops theoretical and experimental techniques to determine the phase behavior and physical properties of DME/flue gas/water/heavy oil systems. Eight constant composition expansion (CCE) tests are conducted to obtain new experimental data. A thermodynamic model is used to accurately predict saturation pressure and swelling factors, as well as the phase boundaries of N2/heavy oil systems and DME/CO2/heavy oil systems, with high accuracy.

FUEL (2024)

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Article Energy & Fuels

Comparison of CO2 absorption in DETA solution and [bmim]-[PF6] using thermodynamic and process modelling

Morteza Afkhamipour, Ebad Seifi, Arash Esmaeili, Mohammad Shamsi, Tohid N. Borhani

Summary: Non-conventional amines are being researched worldwide to overcome the limitations of traditional amines like MEA and MDEA. Adequate process and thermodynamic models are crucial for understanding the applicability and performance of these amines in CO2 absorption, but studies on process modeling for these amines are limited. This study used rate-based modeling and Deshmukh-Mather method to model CO2 absorption by DETA solution in a packed column, validated the model with experimental data, and conducted a sensitivity analysis of mass transfer correlations. The study also compared the CO2 absorption efficiency of DETA solution with an ionic solvent [bmim]-[PF6] and highlighted the importance of finding optimum operational parameters for maximum absorption efficiency.

FUEL (2024)

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Article Energy & Fuels

Interfacial tension of smart water and various crude oils

Arastoo Abdi, Mohamad Awarke, M. Reza Malayeri, Masoud Riazi

Summary: The utilization of smart water in EOR operations has gained attention, but more research is needed to understand the complex mechanisms involved. This study investigated the interfacial tension between smart water and crude oil, considering factors such as salt, pH, asphaltene type, and aged smart water. The results revealed that the hydration of ions in smart water plays a key role in its efficacy, with acidic and basic asphaltene acting as intrinsic surfactants. The pH also influenced the interfacial tension, and the aged smart water's interaction with crude oil depended on asphaltene type, salt, and salinity.

FUEL (2024)

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Article Energy & Fuels

Co-based metal-organic frameworks confined N-hydroxyphthalimide for enhancing aerobic desulfurization of diesel fuels

Dongao Zhu, Kun Zhu, Lixian Xu, Haiyan Huang, Jing He, Wenshuai Zhu, Huaming Li, Wei Jiang

Summary: In this study, cobalt-based metal-organic frameworks (Co-based MOFs) were used as supports and co-catalysts to confine the NHPI catalyst, solving the leaching issue. The NHPI@Co-MOF with carboxyl groups exhibited stronger acidity and facilitated the generation of active oxygen radicals O2•, resulting in enhanced catalytic activity. This research provides valuable insights into the selection of suitable organic linkers and broadens the research horizon of MOF hybrids in efficient oxidative desulfurization (ODS) applications.

FUEL (2024)

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Article Energy & Fuels

Influence of carbon-coated zero-valent iron-based nanoparticle concentration on continuous photosynthetic biogas upgrading

Edwin G. Hoyos, Gloria Amo-Duodu, U. Gulsum Kiral, Laura Vargas-Estrada, Raquel Lebrero, Rail Munoz

Summary: This study investigated the impact of carbon-coated zero-valent nanoparticle concentration on photosynthetic biogas upgrading. The addition of nanoparticles significantly increased microalgae productivity and enhanced nitrogen and phosphorus assimilation. The presence of nanoparticles also improved the quality of biomethane produced.

FUEL (2024)

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Article Energy & Fuels

Effect of aqueous phase recycling on iron evolution and environmental assessment during hydrothermal carbonization of dyeing sludge

Yao Xiao, Asma Leghari, Linfeng Liu, Fangchao Yu, Ming Gao, Lu Ding, Yu Yang, Xueli Chen, Xiaoyu Yan, Fuchen Wang

Summary: Iron is added as a flocculant in wastewater treatment and the hydrothermal carbonization (HTC) of sludge produces wastewater containing Fe. This study investigates the effect of aqueous phase (AP) recycling on hydrochar properties, iron evolution and environmental assessment during HTC of sludge. The results show that AP recycling process improves the dewatering performance of hydrochar and facilitates the recovery of Fe from the liquid phase.

FUEL (2024)

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Article Energy & Fuels

Investigation on the lower flammability limit and critical inhibition concentration of hydrogen under the influence of inhibitors

He Liang, Tao Wang, Zhenmin Luo, Jianliang Yu, Weizhai Yi, Fangming Cheng, Jingyu Zhao, Xingqing Yan, Jun Deng, Jihao Shi

Summary: This study investigated the influence of inhibitors (carbon dioxide, nitrogen, and heptafluoropropane) on the lower flammability limit of hydrogen and determined the critical inhibitory concentration needed for complete suppression. The impact of inhibitors on explosive characteristics was evaluated, and the inhibitory mechanism was analyzed with chemical kinetics. The results showed that with the increase of inhibitor quantity, the lower flammability limit of hydrogen also increased. The research findings can contribute to the safe utilization of hydrogen energy.

FUEL (2024)

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Article Energy & Fuels

Phosphotungstic acid supported on Zr-SBA-15 as an efficient catalyst for one-pot conversion of furfural to ?-valerolactone

Zonghui Liu, Zhongze Zhang, Yali Zhou, Ziling Wang, Mingyang Du, Zhe Wen, Bing Yan, Qingxiang Ma, Na Liu, Bing Xue

Summary: In this study, high-performance solid catalysts based on phosphotungstic acid (HPW) supported on Zr-SBA-15 were synthesized and evaluated for the one-pot conversion of furfural (FUR) to γ-valerolactone (GVL). The catalysts were characterized using various techniques, and the ratio of HPW and Zr was found to significantly affect the selectivity of GVL. The HPW/Zr-SBA-15 (2-4-15) catalyst exhibited the highest GVL yield (83%) under optimized reaction conditions, and it was determined that a balance between Bronsted acid sites (BAS) and Lewis acid sites (LAS) was crucial for achieving higher catalytic performance. The reaction parameters and catalyst stability were also investigated.

FUEL (2024)

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Article Energy & Fuels

Experimental study of droplet vaporization for conventional and renewable transportation fuels: Effects of physical properties and chemical composition

Michael Stoehr, Stephan Ruoff, Bastian Rauch, Wolfgang Meier, Patrick Le Clercq

Summary: As part of the global energy transition, an experimental study was conducted to understand the effects of different fuel properties on droplet vaporization for various conventional and alternative fuels. The study utilized a flow channel to measure the evolution of droplet diameters over time and distance. The results revealed the temperature-dependent effects of physical properties, such as boiling point, liquid density, and enthalpy of vaporization, and showed the complex interactions of preferential vaporization and temperature-dependent influences of physical properties for multi-component fuels.

FUEL (2024)

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Article Energy & Fuels

An experimental and modeling study on the oxidation of ammonia-methanol mixtures in a jet stirred reactor

Yuan Zhuang, Ruikang Wu, Xinyan Wang, Rui Zhai, Changyong Gao

Summary: Through experimental validation and optimization of the chemical kinetic model, it was found that methanol can accelerate the oxidation reaction of ammonia, and methanol can be rapidly oxidized at high concentration. HO2 was found to generate a significant amount of OH radicals, facilitating the oxidation of methanol and ammonia. Rating: 7.5/10.

FUEL (2024)

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Article Energy & Fuels

Improving the biodiesel combustion and emission characteristics in the lean pre-vaporized premixed system using diethyl ether as a fuel additive

Radwan M. EL-Zohairy, Ahmed S. Attia, A. S. Huzayyin, Ahmed I. EL-Seesy

Summary: This paper presents a lab-scale experimental study on the impact of diethyl ether (DEE) as an additive to waste cooking oil biodiesel with Jet A-1 on combustion and emission features of a swirl-stabilized premixed flame. The addition of DEE to biodiesel significantly affects the flame temperature distribution and emissions. The W20D20 blend of DEE, biodiesel, and Jet A-1 shows similar flame temperature distribution to Jet A-1 and significantly reduces UHC, CO, and NOx emissions compared to Jet A-1.

FUEL (2024)

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Article Energy & Fuels

Condensation characteristics of ammonia vapor during supersonic separation: A novel approach to ammonia-hydrogen separation

Jiang Bian, Ziyuan Zhao, Yang Liu, Ran Cheng, Xuerui Zang, Xuewen Cao

Summary: This study presents a novel method for ammonia separation using supersonic flow and develops a mathematical model to investigate the condensation phenomenon. The results demonstrate that the L-P nucleation model accurately characterizes the nucleation process of ammonia at low temperatures. Numerical simulations also show that increasing pressure and concentration can enhance ammonia condensation efficiency.

FUEL (2024)

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Article Energy & Fuels

Multivariate time series prediction for CO2 concentration and flowrate of flue gas from biomass-fired power plants

Shiyuan Pan, Xiaodan Shi, Beibei Dong, Jan Skvaril, Haoran Zhang, Yongtu Liang, Hailong Li

Summary: Integrating CO2 capture with biomass-fired combined heat and power (bio-CHP) plants is a promising method for achieving negative emissions. This study develops a reliable data-driven model based on the Transformer architecture to predict the flowrate and CO2 concentration of flue gas in real time. The model validation shows high prediction accuracy, and the potential impact of meteorological parameters on model accuracy is assessed. The results demonstrate that the Transformer model outperforms other models and using near-infrared spectral data as input features improves the prediction accuracy.

FUEL (2024)

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