CHEMICAL ENGINEERING JOURNAL
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2024
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IF 13.3
Xingyuan Wan,Kaixi Jiang,Ting'an Zhang,Kun Wang,Han Yang,Shengnan Lin
Upgrading copper slag into value-added products provides an untapped opportunity to address arsenic pollution in the environment and promote waste recycling, but the problem of excessive arsenic in products remains a huge engineering challenge. Herein, we employ DFT calculations to explore the dissociation mechanism of AsMA and propose a universal descriptor for screening As removal agents for the first time. The dissociation of AsMA is related to the disturbance of the Mo-As bond by Ba and follows the “Perturbation – Re-stabilization – Dissociation” mechanism. The B Ψ value of Ba is near the minimum value of −0.1058 in the universal descriptors, which renders it potential candidates for As removal agents. As expected, Ba can increase As removal efficiency by approximately 45 % when employing the Si-Ca-Ba alloy compared to other Ca-based alloys. This work offers contributions to the As removal technology for copper slag value-added products while also highlighting the DFT calculations used in guiding engineering practices.
研究领域:
环境科学
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材料科学
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化学工程
✓ 已验证
产品关联
DOI
高影响因子
Biotechnology for Biofuels
·
2018
·Vol. 11
·期 1
·1-16
·
IF 5.497
Xu Yu-Ping,Duan Pei-Gao,Wang Feng,Guan Qing-Qing
Background In this study, a two-step processing method (hydrothermal liquefaction followed by catalytic upgrading) was used to produce upgraded bio-oil. A comprehensive screening analysis of algal species, including four microalgae and four macroalgae, was conducted to bridge the gap between previous accounts of microalgae and macroalgae hydrothermal liquefaction and the upgrading process of the resulting crude bio-oils. Results Hydrothermal liquefaction using eight algal biomasses was performed at 350 °C for 1 h. The microalgae always produced a higher crude bio-oil yield than the macroalgae due to their high lipid content, among which Schizochytrium limacinum provided the maximum crude bio-oil yield of 54.42 wt%. For microalgae, higher amounts of N in the biomass resulted in higher amounts of N in the crude bio-oil; however, contrary results were observed for the macroalgae. The crude bio-oils generated from both the microalgae and macroalgae were characterized as having a high viscosity, total acid number, and heteroatom content, and they were influenced by the biochemical compositions of the feedstocks. Next, all eight-crude bio-oils were treated at 400 °C for 2 h with 10 wt% Ru/C using tetralin as the hydrogen donor. The hydrogen source was provided after tetralin was transformed to naphthalene. All the upgraded bio-oils had higher energy densities and significantly lower N, O, and S contents and viscosities than their corresponding crude bio-oils. However, the H/C molar ratio of the upgraded bio-oils decreased due to the absence of external hydrogen relative to the crude bio-oils. The S content of the upgraded bio-oil produced from upgrading the Schizochytrium limacinum crude bio-oil was even close to the 50 ppm requirement of China IV diesel. Conclusions Microalgae are better feedstocks than macroalgae for liquid fuel production. Biochemical components have a significant impact on the yield and composition of crude bio-oil. Tetralin does not perform as well as external hydrogen for controlling coke formation. The S content of the upgraded bio-oil can be reduced to 76 ppm for the crude bio-oil produced from Schizochytrium limacinum . Upgraded bio-oils have similar properties to those of naphtha and jet fuel.
研究领域:
能源生物学
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生物化学工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FUEL PROCESSING TECHNOLOGY
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2022
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IF 8.129
Hao Bi,Zhiwei Wang,Hao Zhan,Lijian Leng,Zhiyong Zeng,Xinming Wang,Huacai Liu,Xiuli Yin,Chuangzhi Wu
Chinese herbal residue (CHR) is an association of renewable resource and hazardous waste , and high nitrogen content and low energy density are two primary obstacles to its efficient and clean thermal utilization. In this paper, acid-promoted hydrothermal was employed to probe the feasibility on CHR toward enhanced solid biofuel concerning upgradation and denitrogenation. A more excellent hydrothermal promoter (H 2 SO 4 ) was demonstrated to upgrade and denitrogenate CHR with better energy (1.125) and nitrogen densities (0.586) at optimal conditions (160 °C, 0.5 N H 2 SO 4 ), which could be attributed to the improved removal of oxygen, amino and ash during acid-promoted hydrothermal. Compared to raw feedstock or the conventional hydrochar , the acid-promoted hydrochar had enhanced compositional characteristics with higher heating value (21.00 kJ·mol −1 ), lower nitrogen (1.44 wt%) and ash (11.03 wt%) contents, thus showing more stable combustion flame with a higher comprehensive combustion index of 4.861 × 10 −8 , a higher combustion stability index of 4979.342, lower combustion alkali index of 0.026, and less nitrogen gaseous pollutant emission. Thus, acid-promoted hydrothermal would be a promising way to convert CHR into much cleaner and higher-grade solid biofuel.
研究领域:
能源与环境科学
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生物质能工程
✓ 已验证
产品关联
DOI
高影响因子
ACS Applied Materials & Interfaces
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2024
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IF 8.3
Mufan Wang,Shiying Fan,Xinyong Li,Jugong Shi,Yan Mao,Yaqi Yang,Gao Li
Efficiently upgrading 5-hydroxymethylfurfural (HMF) into high-value-added products, such as 2,5-diformylfuran (DFF) and 2,5-furan dicarboxylic acid (FDCA), through a photocatalytic process by using solar energy has been incessantly pursued worldwide. Herein, a series of transition-metal (TM = Ni, Fe, Co, Cu) single atoms were supported on Ti4+αTi3+1-αO2−δ nanofibers (NFs) with certain defects (Ov), denoted as TM SAC-Ti4+αTi3+1-αO2−δ NFs (TM = Ni, Fe, Co, Cu), aiming to enhance the photocatalytic conversion of HMF. A super HMF conversion rate of 57% and a total yield of 1718.66 μmol g–1 h–1 (DFF and FDCA) surpassing that of the Ti4+αTi3+1-αO2−δ NFs by 1.6 and 2.1 times, respectively, are realized when TM is Co (Co SAC-Ti4+αTi3+1-αO2−δ NFs). Experiments combined with density functional theory calculation (DFT) demonstrate that the TM single atoms occupy the Ti site of Ti4+αTi3+1-αO2−δ NFs, which plays a dominant role in the photo-oxidation of HMF. Raman, X-ray photoelectron spectroscopy (XPS), and electron paramagnetic resonance (EPR) characterizations confirm the strong electron local exchange interaction in TM SAC-Ti4+αTi3+1-αO2−δ NFs and demonstrate the substitution of Ti by the TM SACs. The projected density of states and charge density difference reveal that the strong interaction between metal-3d and O-2p orbitals forms Ti–O–TM bonds. The bonds are identified as the adsorption site, where TM single atoms on the surface of Ti4+αTi3+1-αO2−δ NFs reduce HMF molecule adsorption energy (Eads). Furthermore, the TM single atom modulates the electronic structure of TM SAC-Ti4+αTi3+1-αO2−δ NFs through electron transfer, leading to narrow band gaps of the photocatalysts and enhancing their photocatalytic performance. This study has uncovered a newer strategy for enhancing the photocatalytic attributes of semiconducting materials.
研究领域:
材料科学
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化学工程
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环境科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Catalysts
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2016
·Vol. 6
·期 9
·143
·
IF 2.964
Lincai Peng,Ruili Tao,Yu Wu
Levulinate ester has been identified as a promising renewable fuel additive and platform chemical. Here, the use of a wide range of common metal salts as acid catalysts for catalytic upgrading of biomass-derived furfuryl alcohol to butyl levulinate was explored by conventional heating. Both alkali and alkaline earth metal chlorides did not lead effectively to the conversion of furfuryl alcohol, while several transition metal chlorides (CrCl3, FeCl3, and CuCl2) and AlCl3exhibited catalytic activity for the synthesis of butyl levulinate. For their sulfates (Cr(III), Fe(III), Cu(II), and Al(III)), the catalytic activity was low. The reaction performance was correlated with the Brønsted acidity of the reaction system derived from the hydrolysis/alcoholysis of cations, but was more dependent on the Lewis acidity from the metal salts. Among these investigated metal salts, CuCl2was found to be uniquely effective, leading to the conversion of furfuryl alcohol to butyl levulinate with an optimized yield of 95%. Moreover, CuCl2could be recovered efficiently from the resulting reaction mixture and remained with almost unchanged catalytic activity in multiple recycling runs.Keywords:biofuel;furfuryl alcohol;catalytic upgrading;metal salt;levulinate ester
研究领域:
化学工程
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可再生能源
✓ 已验证
产品关联
DOI
高影响因子
CATALYSIS TODAY
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2016
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IF 4.312
Peigao Duan,Caicai Zhang,Feng Wang,Jie Fu,Xiuyang Lü,Yuping Xu,Xianlei Shi
This study examined a two-stage (noncatalytic pretreatment followed by catalytic upgrading) hydrothermal processing of crude bio-oil produced from the hydrothermal liquefaction of duckweed. The activities of six activated carbons (ACs)-pine wood AC, coconut shell AC, bamboo stem AC, apricot pit AC, peach pit AC, and coal AC-toward the deoxygenation and denitrogenation of the pretreated duckweed bio-oil were determined in supercritical water at 400 °C for 1 h with the addition of 6 MPa of H 2 and 10 wt% AC. All of the ACs exhibited activity similar to Ru/C toward the denitrogenation and deoxygenation of the pretreated duckweed bio-oil. Of the ACs tested, bamboo stem AC produced an upgraded bio-oil with the highest yield (76.3 wt%), the highest fraction (90.13%) of material boiling below 350 °C, and the highest energy density (44.1 MJ/kg). Decreased ash and acidic groups in the pre-treated AC disfavored the production of upgraded bio-oil but aided denitrogenation and desulfurization. The ACs are suspected to leach ions and weak acids into the reaction solution, which would catalyze denitrogenation and desulfurization. The gases mainly consisted of unreacted H 2 , CO 2 and CH 4 together with small amounts of C x H y ( x ≤ 5, y ≤ 12) hydrocarbon gases produced from the cracking of the upgraded bio-oil.
研究领域:
能源植物学
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环境科学
✓ 已验证
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2020
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IF 3.573
Zhirong Yang,Jing Zhang,Jiejie Huang,Gang Qian,Xuezhi Duan,Xinggui Zhou
To promote biomass-derived tar and coke upgrading, biomass pyrolysis intensification was utilized by the co-pyrolysis of biomass and caking coal with suitable particle size. The intensification led to a 15% increase in light tar fraction in tar, indicating a transformation from heavy tar to light components (phenols, aliphatic hydrocarbons). Moreover, the resulting coke achieved high strength (M25 > 80%) that can meet the requirement for moving bed gasification. To further facilitate tar upgrading and alleviate secondary reactions of volatiles that result in more secondary-coke and less gas, calcium-based Ca@Cu catalysts were synthesized and then loaded along the predicted coke cracks to improve tar quality without compromising coke granularity and strength. The results indicated that the catalytic upgrading mitigated the formation of pyrolytic water and secondary-coke, and dramatically improved tar quality as the light tar fraction in tar increased by 15–30%. Specifically, the upgraded light tar contains more phenols, naphthalenes, and anthracenes but less acids, ketones, and furfurals. It was postulated that selective cleavage of oxygen-containing functional groups (mainly ether bonds) promoted tar reconstruction to release more light aromatics during the catalysis. The coke strength continued to increase by 3–6%, possibly due to mitigation of H2O formation as indicated by more oxygen-containing groups retained in the aromatics during the Ca@Cu catalysis. The current study provided a new strategy to simultaneously upgrade coke and tar during catalytic pyrolysis of biomass for efficient utilization of the biomass.
研究领域:
能源与燃料
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催化化学
✓ 已验证
产品关联
DOI
高影响因子
CATALYSIS TODAY
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2022
·
IF 6.562
Jinshu Huang,Yumei Jian,Hu Li,Zhen Fang
Biochar materials have wide applications in soil improvement/remediation, water pollution control, gas storage, and heterogeneous catalysis, while usually suffering from low surface areas and harsh preparation conditions. In this study, a green, environmentally friendly, and low-cost biochar catalyst (PAP-MEPP-C) was prepared by thermochemical treatment of lignin-derived monomers at a low temperature (80 °C), and further developed for high-efficiency production of biodiesel from non-edible Jatropha oil ( J O). The characterization results showed that the structure of the PAP-MEPP-C biochar catalyst was layered and 3D structure, and its acidity could be controlled by changing the monomeric composition. The reaction conditions of preparing biodiesel catalyzed by PAP-MEPP-C were optimized by the response surface method, and the obtained maximum biodiesel yield was 97.2%. The kinetics of the (trans)esterification reaction over the developed biochar catalyst PAP-MEPP-C was studied, and its superior catalytic performance to other tested acid catalysts could be supported by a relatively lower activation energy (36 kJ mol −1 ). In addition, the biochar catalyst was highly stable and could be recycled four times with more than 90% biodiesel yield.
研究领域:
环境科学
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能源化学
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催化材料
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2024
·
IF 4.1
Dongxian Li,Xianzhi Meng,Shenlin Huang,Jia Wang,Jianchun Jiang
Sustainable aviation fuel (SAF) is a promising solution for reducing aviation-related carbon emissions. However, conventional SAF production methods such as waste oil aromatization face challenges like complex processing requirements and the generation of unwanted polycyclic aromatic hydrocarbons (PAHs). This study presents a novel, aromatization-free approach to SAF production by co-upcycling waste oils and polystyrene (PS) plastics. The inherent aromatic ring structures in PS plastics are utilized to directly form aromatic hydrocarbons, bypassing the need for traditional aromatization. A two-stage pressurized fixed-bed reactor was employed, where waste oils and PS underwent co-hydropyrolysis to generate intermediates, followed by gas-phase catalytic hydrogenation. Under optimized conditions (0.15 MPa H 2 , 480 °C for co-hydropyrolysis, 350 °C for hydrogenation, and 5 mg Pd/SBA-15 catalyst), this process yielded 71.0 wt% C 8 -C 16 jet fuel components, with 84.5 % selectivity. In comparison, catalysts with higher acidity, such as Pd/HZSM-5 and Pd/USY, promoted side reactions like cracking, leading to lower liquid yields (35.7 wt% and 18.1 wt%, respectively) and a more complex product mixture. Additionally, Pd/SBA-15 catalyst demonstrated excellent stability, maintaining consistent catalytic performance over 10 repeated cycles, and showed potential for scalability with a variety of waste plastics and oils. The study underscores the feasibility of co-upcycling waste oils and PS plastics, offering an efficient, sustainable pathway to streamline SAF production while reducing the environmental impacts associated with conventional methods.
研究领域:
能源科学
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环境科学
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催化化学
✓ 已验证
DOI
高影响因子
FUEL
·
2023
·
IF 7.4
Shanshan Shao,Weicheng Wang,Xinyu Yang,Zian Ye,Jiayuan Sun,Xiaohua Li
A novel method was proposed for biomass fast pyrolysis oil upgrading using catalytic transfer hydrogenation (CTH) based on various CuO catalysts with methanol as the hydrogen donor. The carbonyl compounds in the bio-oil were hydrogenated to synthesize alcohols using a hydrotalcite-like Cu 2 Al catalyst at 200℃ for 4 h. The maximum yield of alcohols reached 73.81%. Cu 2 Al is well applicable to large-scale application in bio-oil CTH for its excellent CTH performance, treating capacity up to 10 vol%, and stable alcohol production during the 5th reuse process. Given the huge range of molecular size of the complex chemical composition of bio-oil, the CTH of raw bio-oil using three catalysts (i.e., CuO/BC, CuO/Al 2 O 3 , and Cu 2 Al) was compared. The CTH performance (71.56%) of CuO/Al 2 O 3 was significantly comparable to that of Cu 2 Al, and it is also a good choice. The main reason for this outcome was that the average pore size of the two catalysts was high (>5nm), which reduced the possibility of pore blockage during the reaction and improved stability. The reusability of CuO/BC was markedly lower for its small average pore size (∼2nm). Furthermore, the CTH of raw bio-oil over CuO catalyst was discussed in depth, such that a basis is laid for the upgrading and utilization of bio-oil.
研究领域:
化学工程
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可再生能源
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2016
·
IF 2.75
Yi Li,Muhammad Nadeem Amin,Xingmei Lu,Chunshan Li,Fuqiang Ren,Suojiang Zhang
The catalyst NiO/MgO–Al 2 O 3 was prepared by loading magnesium and nickel onto the surface of γ-Al 2 O 3 beads, respectively, and was adapted to in situ upgrade the high temperature pyrolysis vapor derived from coal pyrolysis. The catalyst synthesis process, and structural variation were characterized by the XRD, SEM, and physical adsorption analyzer. In order to examine the catalytic effect on the different nickel loading ratio in the catalysts, the solid–liquid–gas product distribution, variation of gas and components of coal tar were studied by simulated distillation, GC/MS, elemental analysis and so on. The results shows both the tar yield and the content of the light fraction in the tar can be increased by catalytic up grade. The catalyst has a strong ability to convert the heavy component and polycyclic aromatic hydrocarbons in the tar to lower molecular weight components.
研究领域:
化学工程
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能源科学
✓ 已验证
产品关联
DOI
高影响因子
FUEL
·
2015
·
IF 3.52
Lincai Peng,Xueying Gao,Keli Chen
The use of various aluminum salts as acid catalysts was compared in terms of catalytic upgrading of renewable furfuryl alcohol in hot ethanol medium. The commercially available AlCl 3 was emerged as a simple, cheap, and efficient catalyst for the synthesis of ethyl levulinate. From this study, four significant parameters including AlCl 3 dosage, furfuryl alcohol concentration, temperature, and time were evaluated and modeled to determine the optimal combination via response surface methodology with a central composite rotatable design. All parameters influenced the formation of ethyl levulinate—the maximum yield was 95.7% (100% furfuryl alcohol conversion). AlCl 3 could be recovered efficiently and reused multiple times without substantial loss of its catalytic activity. Moreover, AlCl 3 as the catalyst with optimized conditions was appropriate for the alcoholysis of furfuryl alcohol in other linear alcohols to afford equally high yields of the corresponding alkyl levulinates.
研究领域:
化学工程
·
可再生能源
·
催化科学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）