INDUSTRIAL CROPS AND PRODUCTS
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2024
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IF 5.6
Xiaoxue Zhao,Xin Xu,Zhe Ling,Caoxing Huang,Chenhuan Lai,Qiang Yong
Developing green pretreatment technologies that prioritize the selective separation of lignin is of significant importance for the industrialization of biorefining. This work employed H 2 SO 4 -catalyzed γ-valerolactone (GVL) pretreatment on masson pine sawdust (GAM) to investigate process conditions and the enzymatic hydrolysis performance of masson pine. The results indicated that the lignin removal rate was 87.2% under the optimal pretreatment conditions (150ºC, 75 mM H 2 SO 4 ). The synergistic effect of the H 2 SO 4 catalyst and GVL pretreatment resulted in an enzymatic hydrolysis yield for GAM (76.8%) nearly six times higher than that of other non-synergistic systems (5.7%∼13.0%). Furthermore, the enzymatic hydrolysis yield increased to 97.3% upon the addition of bovine serum albumin . Microscopic visualization was used to analyze the morphological changes of cells and the micro-distribution of lignin within GAM cell walls after pretreatment. Additionally, structural changes in the molecular weight , functional groups, and linkage contents of GAM lignin were analyzed. This research provides valuable insights for masson pine in producing fermentable monosaccharides and acquiring lignin with enhanced processing properties.
研究领域:
生物化学
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生物质能
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绿色化学
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产品关联
DOI
高影响因子
Petroleum Science
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2016
·Vol. 13
·期 4
·770-775
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IF 0.901
Yin Liu-Yi,Hu Yu-Feng,Wang Hai-Yan
The effects of organic salts on 1,3,5-trioxane synthesis were investigated through batch reaction and continuous production experiments. The organic salts used include sodium methanesulfonate (CH 3 NaO 3 S), sodium benzenesulfonate (C 6 H 5 NaO 3 S), sodium 4-methylbenzenesulfonate (C 7 H 7 NaO 3 S), and sodium 3-nitrobenzene sulfonate (C 6 H 4 NNaO 5 S). It was shown that the effects of organic salts on the yield of 1,3,5-trioxane in reaction solution and distillate follow the order CH 3 NaO 3 S < C 6 H 5 NaO 3 S < C 7 H 7 NaO 3 S < C 6 H 4 NNaO 5 S, which is inversely related to the charge density of the anions of the organic salts. In comparison with Cl − -based salts such as magnesium chloride, organic salts have the advantages of less formic acid generation and low corrosion. Studies on water activity revealed that the effect of organic salts on the activity of water was quite small at low concentration of organic salts. UV–visible spectroscopy and vapor–liquid equilibrium experiments were performed to uncover the mechanisms that govern such effects. The results showed that the effect of organic salts on the yield of 1,3,5-trioxane relies primarily on their ability to increase the catalytic activity of sulfuric acid and increase the relative volatilities of 1,3,5-trioxane and water and of 1,3,5-trioxane and oligomers.
研究领域:
化学工程
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有机化学
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产品关联
DOI
高影响因子
JOURNAL OF MEMBRANE SCIENCE
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2023
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IF 9.5
Bingyu Zhao,Haojie Li,Yuxiu Yu,Yaodong Liu
Carbon molecular sieve membranes (CMSMs) have exhibited significant potential in gas separation applications, particularly in the realm of hydrogen and carbon dioxide separation. Poly(furfuryl alcohol) (PFA) represents a cost-efficient and sustainable precursor utilized in the synthesis of CMSMs. Nonetheless, PFA-based CMSMs have exhibited suboptimal performance and frequently necessitate supplementary supporting layers. In the present investigation, we have explored various acids as catalysts for the in-situ self-polymerization of PFA. Our findings reveal that PFA membrane catalyzed by sulfuric acid exhibits the most favorable performance, yielding a hydrogen permeability of 1394.4 Barrer and a H 2 /CH 4 selectivity of 404.1. These values exceed the Robeson upper limits established in 2019. The enhanced gas separation performance of the sulfuric acid catalyzed PFA-based CMSM could be attributed to the increased furan ring opening and higher polymerization degree achieved through this catalytic process. Furthermore, our investigation delved into the addition of poly(styrene-co-acrylonitrile) (SAN) into the PFA membrane, yielding a CMSM featuring both dense and porous layers. With the addition of 6 wt% SAN in PFA membrane, the resulting CMSM exhibited a hydrogen permeability of 3126.4 Barrer, underscoring the potential for high-performance CMSMs made from the economical PFA precursor. The optimization of the PFA polymerization process and the incorporation of SAN, hold the promise of further elevating the performance of PFA-based CMSMs, and these advancements will substantially contribute to the advancement of sustainable and efficient gas separation technologies.
研究领域:
材料科学
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化学工程
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产品关联
DOI
高影响因子
JOURNAL OF PHYSICAL CHEMISTRY B
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2024
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IF 2.8
Xingyu Wen,Wenshuai Bai,Dayu Zhang
The sulfuric–acid-catalyzed esterification reaction of 2-butanol and propionic anhydride is a vital industrial process. In this paper, several experiments are conducted via reaction calorimetry to validate that both sulfuric and propionic acids have discernible catalytic effects on the reaction. This finding complicates the accurate description of the reaction kinetics through traditional methods. So this paper turns to a kinetic-free black-box model, Gaussian process regression (GPR) model via 24 experiments, as a more adaptable approach. Besides, the best GPR model is combined with traditional heat balance model to generate a hybrid gray-box model, which can give complete knowledge of reaction process. The hybrid gray-box model finally achieves maximum root-mean-square error (RMSE) of 0.0069 for conversion, 0.6535 for temperature, and 10.6087 for heat flow rate, underscoring its pretty good predictive ability.
研究领域:
化学工程
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机器学习
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反应动力学建模
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产品关联
DOI
PubMed
高影响因子
Asia-Pacific Journal of Chemical Engineering
·
2023
·Vol. 18
·期 3
·e2901
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IF 1.8
Yu Jia,Haoran Zhao,Yihang Chen,Xuanyu Liang,Hongge Tao,Guizhuan Xu,Chun Chang
The reaction characteristics and mechanism of carbohydrates is important in exploring and developing suitable technology for biofuels and biochemical production from lignocellulosic biomass. In this study, experiments combined with density functional theory (DFT) calculation and molecular dynamics (MD) simulation were used to investigate the glucose alcoholysis reaction mechanism catalyzed by extremely low concentrated sulfuric acid. The effects of temperature and tetrahydrofuran (THF) on the distribution of the product in the alcoholysis process of high-concentration glucose were investigated. DFT calculation results showed that the addition of THF in ethanol can decrease the energy barrier of glucose degradation. Meanwhile, the MD simulation indicated that the catalyst tends to localize more around the glucose molecular, which was beneficial to the glucose degradation in ethanol. Combining the experimental and theoretical results, plausible glucose alcoholysis reaction pathways were proposed in this work. It was found that when temperature was lower than 190°C, the three main pathways were glucose conversion into ethyl glucoside (EDGP); glucose conversion into 1,6-anhydro-β-d-glucopyranose (LG), then further to levoglucosone (LGO), furans, or 1,4:3,6-dianhydro-α-d-glucopyranose (DGP); and glucose conversion to fructose. However, at higher temperatures (190 and 220°C), the main reaction pathways were, glucose conversion into LG, LGO, and ethyl levulinate (EL); glucose conversion into fructose, 5-hydroxymethylfurfural (HMF), 5-ethoxymethylfurfural (EMF), and EL; and glucose conversion into humins. DFT, MD simulation, and experimental results showed that the addition of THF is beneficial for the EDGP formation from high concentration glucose catalyzed by Brønsted acid.
研究领域:
生物化学
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计算化学
✓ 已验证
产品关联
DOI
高影响因子
AICHE JOURNAL
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2020
·Vol. 66
·期 8
·e16979
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IF 3.519
Piao Cao,Yuan Yuan,Chizhou Huang,Weizhen Sun,Ling Zhao
Seven typical quaternary ammonium ionic liquids, amino acid ionic liquids, and imidazolium ionic liquids were synthesized, characterized, and investigated as co-catalyst for the sulfuric acid catalyzed isobutane alkylation. The results show that the introduction of [OPSIm][HSO 4 ] or [Pr 3 NPS][HSO 4 ] both leads to a better catalytic performance and higher quality of alkylate products. The molecular dynamic simulation indicates that the [OPSIm][HSO 4 ] can promote the dissolution of isobutane molecules at interface, further improving the ratio of isobutane to olefin from 1.02 to 1.18. Differently, the [Pr 3 NPS][HSO 4 ] can significantly increase the interface width from 0.66 to 0.97 nm and reduce the interface tension from 28.49 to 14.62 mN/m, thereby enhancing the reaction area and improving the ion transfer. The [Pro][HSO 4 ] and [Gly][HSO 4 ] result in a worse quality of alkylate products due to no positive effect on the interfacial properties such as interfacial solubility of isobutane.
研究领域:
化学工程
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催化
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物理化学
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产品关联
DOI
高影响因子
AICHE JOURNAL
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2021
·Vol. 68
·期 4
·e17556
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IF 3.993
Zhihong Ma,Jialei Sha,Weizhong Zheng,Weizhen Sun,Ling Zhao
To enhance the catalytic performance of H 2 SO 4 -catalyzed alkylation, various catalytic additives have drawn considerable attentions. Herein, the effects of deep eutectic solvent (DES) additives on catalytic performance and the interfacial properties of H 2 SO 4 alkylation were systematically investigated using experimental methods and molecular dynamics (MD) simulation. Experimental results indicate that DESs with the optimal concentration about 1.0 wt% can efficiently improve C 8 selectivity and research octane number of alkylate, especially at low temperature, but contribute less to the lifetime of H 2 SO 4 . MD results reveal that the phenyl molecules of DESs additives play a major role in enhancing interfacial properties of H 2 SO 4 alkylation, including enlargement of interfacial thickness, promotion of isobutane relative solubility and diffusion to butene, which is probably the main reason for the better quality of alkylate. This work gives a good guideline for the design of novel DESs for H 2 SO 4 alkylation.
研究领域:
化学工程
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催化
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材料科学
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计算化学
✓ 已验证
产品关联
DOI
高影响因子
FUEL
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2020
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IF 5.578
Yiying Dai,Genkuo Nie,Si Gong,Li Wang,Lun Pan,Yunming Fang,Xiangwen Zhang,Ji-Jun Zou
Synthesis of jet fuel with high density, good low-temperature property and high thermal stability is significant to aerospace industry. Here, a great-performance jet fuel blending including bi- and tri-cyclic hydrocarbons (C10 ~ C16) is synthesized with high yield through reduced graphene oxide (rGO) assisted H 2 SO 4 catalytic one-pot reaction of cyclopentanol and methylcyclopentane. The reaction occurs through a consecutive way of dehydration, alkylation, rearrangement and hydrogen transfer. Carbon-based materials especially rGO are used as additive to increase the carbon yield by promoting the emulsification of reactants in sulfuric acid. Promoted emulsification improves the alkylation of cyclopentanol with methylcyclopentane and makes the hydrogen transfer easier, which highly increases the conversion of methylcyclopentane (54.9%), the carbon yield (83.2%) and the selectivity (97.3%) of products. Finally, a jet-fuel-ranged blending with overall yield of 71.8% is obtained by distillation, which shows high density of 0.90 g/mL, low freezing point of ＜-72 °C and a high oxidation onset temperature of 195.0 °C. This work provides a simple, efficient and low-cost way to synthesize high performance jet fuel from biomass.
研究领域:
化学工程
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材料科学
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航空航天工程
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能源技术
✓ 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）