COMBUSTION AND FLAME
·
2019
·
IF 4.12
Wei Li,Yan Zhang,Bowen Mei,Yuyang Li,Chuangchuang Cao,Jiabiao Zou,Jiuzhong Yang,Zhanjun Cheng
Flow reactor pyrolysis and laminar flame propagation are investigated for n -propanol and i -propanol, which are the smallest alcohol fuels with isomeric structures. Pyrolysis products of propanol isomers at 0.04–1 atm are detected using the synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). Experimental observations demonstrate ethylene and propene are respective dominant hydrocarbon products in the n -propanol and i -propanol pyrolysis, while the most abundant oxygenated products are formaldehyde, acetaldehyde and ethenol in the n -propanol pyrolysis and acetone and acetaldehyde in the i -propanol pyrolysis. Higher concentrations of aromatic and oxygenated pollutants are observed in the i -propanol pyrolysis. The laminar burning velocities of propanol isomers are measured in a high-pressure constant-volume cylindrical combustion vessel at the initial temperature of 423 K, pressures of 1–10 atm and equivalence ratios of 0.6–1.5. A general trend that n -propanol has much faster LBVs than i -propanol is noticed under all investigated conditions. A kinetic model of propanol isomers is developed and validated against the present experimental data, as well as other experimental data in literature covering wide ranges of temperatures, pressures and equivalence ratios. Rate of production analysis and sensitivity analysis are performed together to provide insight into the fuel isomeric effects on key reaction pathways and fuel reactivities. In the flow reactor pyrolysis, different dominant primary decomposition pathways of n -propanol and i -propanol lead to the differences in both molecular structures and concentration levels of pyrolysis products. In laminar flame propagation, different radical pool distributions of propanol isomers are illustrated and found to be largely influenced by fuel isomeric structures. The linear structure of n -propanol promotes the formation of more active radicals like formyl, vinyl and ethyl, while the branched structure of i -propanol facilitates the production of more stable radicals including methyl and allyl. Thus, the promoted chain-branching in n -propanol flames and enhanced chain-termination in i -propanol flames can explain the higher laminar burning velocities and reactivities of n -propanol than that of i -propanol.
研究领域:
化学工程
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燃烧科学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
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IF 2
Feihu Li,Yidong Gu,Yanli Sun,Dahaun Liu,Qunsheng Li
In the esterification reaction of n-propanol and acetic acid to produce n-propyl acetate, the presence of a mixture of n-propanol and n-propyl acetate is inevitable. However, the system of n-propanol and n-propyl acetate has an azeotropic point, which makes it impossible for conventional distillation to separate the two substances completely. Therefore, 1-ethyl-3-methylimidazolium acetate ([EMIM][OAC]) and 1-hexyl-3-methylimidazolium acetate ([HMIM][OAC]) were selected as entrainers to conduct the vapor–liquid equilibrium experiment of n-propanol + n-propyl acetate + [EMIM][OAC] and n-propanol + n-propyl acetate + [HMIM][OAC] at atmospheric pressure in this study. The experimental data were regressed by the NRTL model and UNIFAC-Lei model. NRTL model was in better agreement with the experimental data. The results showed that both [EMIM][OAC] and [HMIM][OAC] could separate the n-propanol + n-propyl acetate system, and [EMIM][OAC] showed the enormous separation potential of ionic liquids based on [OAC]− as anions for the azeotropic system.
研究领域:
化学工程
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热力学
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2019
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IF 2.29
Yi Zhang,Baotao Diao,Dongmei Xu,Haihua Jiang,Lianzheng Zhang,Jun Gao,Yinglong Wang
For separation of the mixture {isopropyl alcohol (IPA) + diisopropyl ether (DIPE) + n-propanol (NPA)} by extractive distillation, propylene glycol ethyl ether (PGEE) was used as an entrainer based on selectivity since isopropyl alcohol + diisopropyl ether can an azeotrope. To explore the interaction mechanism between the entrainer PGEE and the components in the mixture, the charge density surface (σ-profiles) and the interaction energies were calculated based on the COSMO-SAC model and Dmol 3 , which could provide theoretical insight into interactions at the molecular level. Then, the data of isobaric vapour-liquid equilibrium (VLE) for (IPA + PGEE), (DIPE + PGEE) and (NPA + PGEE) systems were measured at 101.3 kPa. The NRTL, UNIQUAC and Wilson equations were applied to correlate the measured VLE data, and the thermodynamic model parameters for the binary systems were obtained by fitting the VLE data, which is helpful for the simulation and optimization of the separation process.
研究领域:
化学工程
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分子模拟
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高影响因子
ChemCatChem
·
2021
·Vol. 13
·期 18
·3953-3959
·
IF 5.686
Zhiming Zhou,Hongyan Jia,Yong Guo,Yangang Wang,Xiaohui Liu,Qineng Xia,Xi Li,Yanqin Wang
Graphical Sulfates : The introduction of sulfates into TiO 2 supported Pt-WO x catalyst greatly improves the dispersion of Pt and WOx species, increases the acid amount and inhibits the leaching of Pt and WO x species, resulting in dramatically promoted catalytic activity and stability for glycerol hydrogenolysis to 1,3-PDO and n-PO with 93 % total yield. Pt-WO x based catalysts were widely investigated and showed high industrial application potential for glycerol hydrogenolysis. Further improving the catalytic activity and stability of the Pt-WO x based catalysts is important. Herein, we modified the TiO 2 supported Pt-WO x catalyst with sulfate doping and employed for the glycerol hydrogenolysis. The introduction of sulfates dramatically promoted the catalytic activity and stability of the Pt/W/Ti catalyst in glycerol hydrogenolysis. Sulfates-doped Pt/W−S/Ti achieved 100 % conversion of glycerol, with 36 % selectivity to 1,3-PDO and 57 % selectivity to n-PO at 120 °C and 4 MPa, while the conversion over Pt/W/Ti only reached 57 %. Moreover, Pt/W−S/Ti offered 22.5 times more glycerol conversion (90 %) than Pt/W/Ti (4 %) for the second run. The much higher activity of the Pt/W−S/Ti was ascribed to the better dispersion of Pt and WO x species and more Brønsted acid amount. The enhanced stability of Pt/W−S/Ti was attributed to its strong anti-leaching ability after sulfate doping.
研究领域:
催化化学
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工业化学
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材料科学
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DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
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2022
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IF 3.841
Shuai Zhang,Xiaoyu Fan,Shuhan Jiang,Rentian Guan,Xiaodong Shao,Shuhao Wang,Qiaoli Yue
Trace moisture was firstly measured in methanol, ethanol and n-propanol at room temperature. The N, P-codoped carbon dots (CDs) were prepared by one pot solvothermal method, which displayed solvent-dependent fluorescence. The N, P-codoped CDs exhibited green fluorescence, with the quantum yields (QY) of 27.9%, 37.4%, 26.2% and 2.3% in methanol, ethanol, n-propanol and water, respectively. Based on the hydrogen bond interactions between the protic solvents and the N, P-codoped CDs, with the water content increased, the fluorescence intensity of N, P-codoped CDs gradually decreased in methanol, ethanol and n-propanol. The decrement in the fluorescence intensity is linearly related to the water content within the content range of 2% to 8%, 0.04% to 5% and 0.04% to 1.0%, with a limit of detection of 0.22%, 0.009% and 0.021% in methanol, ethanol and n-propanol, respectively. Therefore, the present system has a prospective value for the application in the determination of trace water in the relevant fields.
研究领域:
分析化学
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材料科学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2023
·
IF 6
Mengjin Zhou,Xiaomin Qiu,Yajuan Qu,Yangyang Liu,Zhaoyou Zhu,Yinglong Wang,Peizhe Cui,Jingwei Yang
P-xylene, n-propanol and water are widely present in the petroleum production process, so the effective separation of these substances is of great significance to environmental protection and resource conservation. In this study, deep-eutectic solvents (DESs) were used to separate the n-propanol/p-xylene/water ternary azeotrope system for the first time and compared with the commonly used solvents. The difficulty of forming hydrogen bonds and the interaction between the extractants and the system to be separated were determined by quantum chemical calculations. Quantitative analysis was performed using σ-profile, interaction energy and electrostatic potential (ESP) energy. The order of interaction strength was N-formylmorpholine (NFM) > cyclohexanol, (DL-Menthol/Lauric acid) 2:1 (DES 1 ) > (DL-Menthol/Decanoic acid) 1:1 (DES 2 ). Qualitative analyses were performed using interaction region indicator (IRI) and independent gradient model based on Hirshfeld partition (IGMH). It can be visually shown that the H atoms on the hydroxyl groups of n-propanol play a major role in the interaction, and all form hydrogen bonds with the O atoms of the entrainers. Finally, phase equilibria data for entrainers and azeotropes were supplemented with the improved new Rose VLE kettle. A series of relevant calculations and experimental data show that the selected four extractants can achieve component separation. Among them, NFM and DES 1 are the best extractants. This study provides a solvents screening process through quantum chemical calculations and phase equilibrium experimental multi-scale studies, which provide guidance for the application of solvents screening and DESs in extractive distillation separation processes.
研究领域:
化学工程
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环境科学
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物理化学
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DOI
高影响因子
Carbon Capture Science & Technology
·
2024
·
IF 10.4
Xiaobin Zhou,Yunqiong Tang,Chao Liu,Shengpeng Mo,Yinming Fan,Dunqiu Wang,Bihong Lv,Yanan Zhang,Yinian Zhu,Zongqiang Zhu,Guohua Jing
To tackle the prevalent challenges encountered with polyamine-based non-aqueous absorbents (NAAs), particularly the formation of viscous products and inferior regeneration performance, this study proposed an innovative synergistic regulation strategy that integrated 2-amino-2-methyl-1-propanol (AMP) and n-propanol (NPA). Accordingly, a novel tertiary tetraethylenepentamine (TEPA)-AMP-NPA (T-A-N) NAA was devised. The optimized T-A-N maintained complete homogeneity throughout the entire CO 2 absorption process and achieved an impressive CO 2 loading of 1.15 mol·mol −1 while maintaining a low viscosity of merely 22.47 mPa·s. Remarkably, its absorption capacity showed little decrement after four consecutive absorption-desorption cycles, underscoring its exceptional recyclability. Within the T-A-N system, AMP underwent a reaction with CO 2 , yielding AMP-carbamate and protonated AMP, while TEPA engaged in CO 2 absorption to form zwitterionic carbamates. During the desorption process, NPA served as a regeneration activator, facilitating the conversion of stable TEPA-carbamates into less stable alkyl carbonate intermediates, thereby enhancing the T-A-N's regeneration performance. Moreover, the T-A-N system addressed the issue of TEPA-carbamate self-aggregation into insoluble gelatinous substances by leveraging the synergistic enhancement effects between AMP derivatives and NPA. Specifically, these components effectively bound TEPA-carbamate species via robust electrostatic affinity and intermolecular hydrogen-bond interactions, inhibiting their self-aggregation and preventing the formation of insoluble products. Furthermore, T-A-N exhibited a significant reduction in both sensible and latent heat requirements, by 67 % and 82 % respectively, compared to 30 wt% MEA, highlighting its advantageous energy-saving potential for CO 2 capture. Overall, harnessing the synergistic enhancement effects of AMP and NPA was conducive to the development of polyamine-based NAAs that offered superior CO 2 capture reversibility, low energy consumption, and resistance to insoluble product formation.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
Separations
·
2025
·Vol. 12
·期 11
·
IF 2.7
Zhaojin Zhang,Subhan Mahmood,Yu Cao,Shun Yao
At present, ionic liquids (ILs) are increasingly being used to extract natural products as green solvents, but their residues can lead to risks in terms of further use for the extracted herbal materials. Therefore, it is necessary to remove them with simple and effective methods. For example, after the toxic anthraquinones inPolygonum multiflorumare removed by extraction with the IL of [C4Bim][PTSA], it needs to be recovered and reused, and the useful stilbene glycosides should not suffer from obvious loss as they are the main functional components. In this study, an ultrasonic method withn-propanol was used to remove the residual [C4Bim][PTSA] in the solid powders ofPolygonum multiflorumthat had been extracted for anthraquinones. After single-factor optimization, the removal conditions were as follows: the removal temperature was 303.15 K, the solid–liquid ratio was 1:200 (w (1 g):v (200 mL)), the ultrasonic time was 40 min, and there were four operations. Under these conditions, ILs could be completely removed with almost no loss of stilbene glycosides in solid powders. After that, the IL in the extracting solution and scrubbing solution was recovered by the back-extraction method, and an IL with high purity could be obtained for reuse. The total recovery efficiency of the IL reached more than 98%. Then gas chromatography (GC) was conducted for the determination of residual ethanol andn-propanol in the solid powders ofPolygonum multiflorum, which could be used to quickly detect the contents of two organic solvents within three minutes. Besides that, the method could also be applied to the determination of residual organic solvents in the raw materials ofPolygonum multiflorum, and the results showed that the residue of ethanol andn-propanol in the solid powders were in accordance with the general provisions of the currentChinese Pharmacopoeia. According to the developed procedures and optimized conditions, the recovered IL could be reused in five runs at least. General applicability and greenness assessment for the developed process also proved that it is an ideal method, which has potential in large-scale application.
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高影响因子
CELLULOSE
·
2022
·Vol. 29
·期 14
·7823-7836
·
IF 6.123
Yuan Zhengqiu,Dai Wei,Li Xiaoyan,Wu Yangfeng,Zang Kairong,Zeng Jianxian,Jian Jian,Zhou Hu
Cellulose acetate (CA) was used for the preparation of food packaging film. Glycerol and n-propanol were introduced, as plasticizer and transparent agent, respectively for evaluating the possible changes of the film functional properties on tensile strength and transparency. The transmittance, haze value, tensile strength and flexibility were acquired by using optical and mechanical analyses, respectively. The presence of glycerol improved the functional properties of films by increasing their extensibility, flexibility and elasticity; however transparency of the films deteriorated with the inclusion of plasticizer. Therefore, the addition of n-propanol as transparent agent into the films enhanced the transparency. Moreover, morphological changes and gas barrier property were confirmed by scanning electron microscopy and water vapor transmission rate analyses. The results suggest that CA films incorporated with plasticizer and transparent agent have good functional properties in isolating water vapor, mechanical performance and optical properties, demonstrating that the optimal film has a potential in the application for food packaging. Graphical abstract
High strength transparent cellulose acetate film (CAF) was prepared with glycerol as plasticizer and n-propanol as transparent agent. The addition of glycerol and n-propanol has a significant influence on film mechanical performance, optical properties, water vapor barrier property and physical behavior, such as pore structure.
研究领域:
食品科学
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材料科学
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DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2023
·
IF 5.9
Qingsong Liu,Yanting Lin,Jianwen Li,Yunchun Wang,Shengnan Li,Huixi Bian,Wencheng Zhang,Zeyu Wu
In present study, a novel, efficient and environmental friendly microemulsion extraction method was established to extract lutein from marigold petals powder (MPP). The optimum microemulsion formulation was obtained by combining the screening of oils, co-surfactants and ternary phase diagram. Based on the saturation solubility of lutein, isoamyl acetate and n-propanol were selected as oil phase and co-surfactant, respectively. A 5 mL microemulsion consisting of Tween80/n-propanol/isoamyl acetate/water (36:36:18:10 wt%) was used for the extraction of lutein from 20 mg MPP, with the highest extraction efficiency of 95.17%. For lutein microemulsion, the average droplet size was 26.44 ± 0.17 nm, the polydispersity index was 0.37 ± 0.00 and Zeta potential was − 11.20 ± 0.26 mV. Compared with ethanol extract (EE), MPP microemulsion extract (LME) had higher stability under different temperature, pH, and storage time conditions. This study would provide a new alternative method for lutein extraction, and also could be expected to be applied for other poorly water-soluble ingredients.
研究领域:
化学工程
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食品科学
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药学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2023
·
IF 8.6
Shixuan Li,Lijie Fu,Zhangfeng Dong,Lijie Que,Mengmeng Ma,Bihong Lv,Zuoming Zhou,Guohua Jing
The non-aqueous amine solvents for CO 2 capture gaine an advantage in energy-saving potential, but with a sharp increase viscosity after saturated absorption would easily cause problems such as equipment scaling and pipe blockage. In the present work, th e ethylene glycol (EG) was used as co-solvent and activator to regulate the non-aqueous absorbent of 1,5-diamino-2-methyl-pentane (DA2MP) and n-propanol (PrOH) for CO 2 capture. The absorption loading of the mixture solution was 1.13 mol·mol −1 when the mass concentration of DA2MP was 25 wt% and the volume ratio of PrOH to EG was 8:2. By activated by EG, the viscosity of the saturated solution was only 9.05 mPa·s, which changed from viscous precipitation to clarify liquid compared with that of DA2MP/PrOH. The absorbent maintained 90.30% of its initial CO 2 absorption loading after 10th cycle regeneration under 393.15 K for 60 min. According to the quantum chemical calculations and experimental results, the reaction and regulation mechanism of CO 2 capture into DA2MP/PrOH/EG was clarified. In DA2MP-PrOH solution, CO 2 firstly reacted with DA2MP to form carbamate, and them the product further reacted with PrOH to form alkyl carbonates, which was viscous and insoluble due to the high intermolecular force between the CO 2 products. After adding appropriate amount of EG, the solubility of insoluble products in solvent was increased through weakening the intermolecular interaction of products and enhancing the intermolecular interaction between products and solvents, which further converted them into soluble alkyl carbonate and realized viscosity reduction. The regeneration heat duty of DA2MP/PrOH/EG solution was estimated as 1.58 GJ·ton −1 CO 2 , which was 29.5% and 58.42% less than that of DA2MP/PrOH and bench mark MEA solution, respectively, indicating a alternative candidate for CO 2 capture.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2025
·
IF 9
Yunqiong Tang,Ting Zou,Zhiyu Su,Yinming Fan,Shengpeng Mo,Yanan Zhang,Dunqiu Wang,Yinian Zhu,Zongqiang Zhu,Xiaobin Zhou
Non-aqueous absorbents (NAAs) have emerged as promising candidates for CO 2 capture due to their energy-saving advantages and non-corrosive properties, yet necessitate further optimization in absorption capacity and regenerability for viable industrial implementation. This study developed a novel NAA through an innovative synergistic absorption–regeneration activation strategy, combining aminoethylethanolamine (AEEA) as the primary CO 2 -active component, 2-amino-2-methyl-1-propanol (AMP) to suppress insoluble products, with dimethylethanolamine (DMEA) and n-propanol (NPA) as dual-functional activators. Through coordinated activation mechanisms—DMEA-driven absorption enhancement and NPA-mediated regeneration promotion—the AEEA-AMP-DMEA-NPA (A-A-D-N) system achieved high-efficiency reversible CO 2 capture. Experimental optimization enabled A-A-D-N to obtain a CO 2 absorption loading of 1.51 mol·mol −1 (42.5 % higher than the DMEA-free system) and near-complete regeneration (≥98.13 %, 14.0 % improvement over the NPA-free system). The A-A-D-N formulation demonstrated exceptional cyclic stability, retaining the regeneration efficiency of 89.4 % after five consecutive absorption–desorption cycles. Mechanism studies combining 13 C NMR analysis and quantum chemical calculations revealed the dual-activation pathways: During absorption, DMEA facilitated zwitterion deprotonation and simultaneously regenerated active AEEA via AEEAH + deprotonation, enabling more AEEA to absorb CO 2 ; In regeneration, NPA acted as a proton shuttle through a low-energy-barrier relay mechanism, promoting efficient proton transfer from AEEAH + to AEEA-carbamate for carbamic acid formation, while subsequently catalyzing carbamic acid decomposition through proton exchange—a pathway distinct from conventional carbamate-to-carbonate conversion. Regeneration energy consumption analysis demonstrated A-A-D-N’s significant improvements over the benchmark 30 wt% MEA, with sensible heat and latent heat reduced by 76.1 % and 87.6 %, respectively. Furthermore, the A-A-D-N absorbent was verified to be non-corrosive to carbon steel. Overall, this work established a dual-activation strategy for developing novel NAAs with combined advantages of high-efficiency CO 2 capture capacity, energy savings and non-corrosive nature, thereby advancing CO 2 capture technologies.
研究领域:
化学工程
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环境科学
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材料科学
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物理化学
·
能源技术
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）