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 THERMODYNAMICS
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2019
·
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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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2021
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IF 2.694
Qing Yi,Wei-Peng Chen,Xiang-yang Zhang,Yan-Yang Wu,Bin Wu,Kui Chen,Li-Jun Ji
The isobaric vapor–liquid equilibrium (VLE) data of 2-phenylethanol (2-PE) + 2-ethylphenol (2-EP), 1-phenyl-2-propanol (1,2-PP) + 2-ethylphenol (2-EP), 2-phenylethanol (2-PE) + 1-phenyl-2-propanol (1,2-PP) and 2-phenyl-1-propanol (2,1-PP) + 2-ethylphenol (2-EP) were measured by a modified Rose type still under 101.3 kPa. Both the Fredenslund test and Redlich–Kister area test were employed to verify the consistency of the experimental data. Besides, the experimental isobaric VLE data were correlated by Wilson, nonrandom two-liquid, and universal quasi-chemical models, and the corresponding parameters were obtained accordingly. All three models showed good agreement with the experimental data, and among which the Wilson model performed slightly better than the others.
研究领域:
化学工程
·
物理化学
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DOI
高影响因子
Carbon Capture Science & Technology
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2024
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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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产品关联
DOI
高影响因子
APPLIED CATALYSIS A-GENERAL
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2025
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IF 4.8
Daguo Wu,Yong Liu,Xinghua Zhang,Jianguo Liu,Qi Zhang,Longlong Ma,Lungang Chen
The effective utilization of biomass is essential for addressing environmental challenges. The direct conversion of cellulose into chemicals and fuels is a key step in fostering a sustainable society. In this study, a mesoporous Pt-WO x /Nb 2 O 5 catalyst is synthesized and characterized using N 2 sorption, XRD, ICP, CO pulse, TEM, SEM, NH 3 -TPD, PY-IR, H 2 -TPR, and XPS. Under optimized catalyst preparation and reaction conditions, the yields of ethanol and propanol reach 50.3 % and 20.2 %, respectively. The mesoporous structure of Nb 2 O 5 , coupled with Pt, provides a rich balance of acidic and hydrogenation-active sites. Additionally, WO x plays a crucial role in the C C bond cleavage of cellulosic glucose and the C O bond cleavage of ethylene glycol, facilitating ethanol formation through Pt and the abundant Lewis acid sites from Nb 2 O 5 .
研究领域:
化学工程
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可再生资源
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL RESEARCH
·
2023
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IF 1.4
Ruilong Jia,Qizhuozhuo Hua,Xiaonan Ma,Guangfu Liao
Allyl alcohol and water can form the lowest boiling point azeotrope, but it is very hard to acquire high-purity allyl alcohol by normal distillation methods. Herein, a separation and purification protocol is developed for perfectly separating an azeotropic mixture of allyl alcohol and water using the salting-out method, in which three potassium phosphate salts, K5P3O10, K3PO4, and K4P2O7, are systematically investigated as salting-out agents, and finally a product consisting of > 99% allyl alcohol is obtained. A thermodynamic study demonstrates that this process involves endothermy and increment entropy. There is a good correlation between the solubility of allyl alcohol and the molar concentration of salt (mol per 1 kg water), and the solubility of the allyl alcohol in the organic phase or the water phase can be forecast using the mass percentage of salts. This work provides a new methodology for the efficient separation of an azeotropic mixture of allyl alcohol and water.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
MONATSHEFTE FUR CHEMIE
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2023
·Vol. 154
·期 10
·1189-1195
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IF 1.8
Wang Peng,Shi Huibing,Feng Baolin,Zhao Deming,Wu Haigang
The Ru-catalyzed highly selective alkoxycarbonylation of allenes with aliphatic alcohols (also as solvent) allow to produce useful α , β -unsaturated esters in good to excellent yields at 70 °C. Efficient regioselectivity could be controlled in the presence of N-ligands while the P-ligands had no influence on the conversion of substrates and the chemo/regioselectivity of target products. By involving N-ligand 4,7-dimethyl-1,10-phenanthroline in the catalytic system, α , β -unsaturated esters were obtained with high conversion and chemo/regioselectivity (conversion up to 99%, chemical selectivity up to 99%, regioselectivity of branched ester/linear ester up to 89/11). Graphical abstract
研究领域:
有机化学
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催化化学
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DOI
高影响因子
JOURNAL OF SUPERCRITICAL FLUIDS
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2015
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IF 2.371
Nan Xin,Yang Liu,Xudong Guo,Xiangyang Liu,Ying Zhang,Maogang He
The critical temperatures and pressures of eight binary systems and two ternary systems (1-propanol + cyclohexane, 1-propanol + n -hexane, 1-propanol + n -heptane, 1-propanol + n -octane, 1-propanol + n -decane, 2-propanol + cyclohexane, cyclohexane + n -hexane, cyclohexane + n -heptane, 1-propanol + cyclohexane + n -heptane and 1-propanol + n -octane + n -decane) were measured using an efficient and accurate low residence time flow apparatus. The uncertainties of the critical temperature and the pressure were estimated to be less than 0.4 K and 0.01 MPa, respectively. All the critical loci of binary systems belong to the type I or type II as defined by Scott and van Konynenburg. The curves of critical temperatures for the six binary mixtures containing 1-propanol or 2-propanol are non-ideal. Maximum average absolute deviations of the Redlich–Kister equations from the experimental results for the critical temperatures and the critical pressures of all the binary systems are 0.05% and 0.07%, respectively. Moreover, the two ternary systems were correlated by Cibulka's and Singh's expressions with maximum average absolute deviations 0.06% for critical temperatures and 0.83% for critical pressures.
研究领域:
物理化学
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热力学
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DOI
高影响因子
Energy Science & Engineering
·
2017
·Vol. 5
·期 4
·208-216
·
IF 2.172
Yuan Zhao,Haizhou Lin,Shurong Wang
A novel green reaction system of CO 2 –water–isopropanol has been developed for the production of furfural (FF) from xylose. Initially, a simple CO 2 –water system was investigated, and the results showed that the formation of FF from xylose was greatly enhanced. CO 2 at high pressure could increase the acidity of the reaction system, and thus the FF yield was improved. By raising the reaction temperature, the conversion of xylose was remarkably accelerated in the CO 2 –water–isopropanol system, leading to an acceptable conversion rate (94.41%) and FF yield (55.81%). Addition of an appropriate amount of NaCl further increased the yield to 69.20%. Other carbohydrates (arabinose and xylan) were also tested in the same reaction system and modest results were obtained.
研究领域:
生物化学
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绿色化学
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产品关联
DOI
高影响因子
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA
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2016
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IF 1.34
Xi-yun YANG,Hai-qiang HUANG,Sheng-hai YANG
Anodic dissolution behavior of zirconium in Bu n 4 NBr-contaning isopropanol solution was investigated using cyclic voltammetry, linear sweep voltammetry and chronoamperometry, complemented with a scanning electron microscope (SEM). The voltammograms did not exhibit active dissolution until the breakdown of passive layer induced by aggressive bromide anions. SEM images confirmed the existence of pits on zirconium surface. The depth and breadth of pits were intensified with increasing potential. The pitting potential shifted negatively as either temperature or Bu n 4 NBr concentration was increased, while it increased with increasing scan rate. The corrosion current density increased with increasing temperature. The apparent activation energy of anodic dissolution of zirconium was 21.88 kJ/mol. The chronoamperometry revealed that increasing Bu n 4 NBr concentration shortened the incubation time for passivity breakdown and accelerated the pit nucleation and growth. The experimental results were helpful to obtain the optimum conditions for electrosynthesis of zirconium isopropoxide.
研究领域:
材料科学
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电化学工程
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DOI
高影响因子
Catalysts
·
2025
·Vol. 15
·期 3
·279
·
IF 4
Duozhen Chai,Chongli Wang,Jinzhen Liu,Dongfeng Cao,Kaixuan Guo,Yuankun Wang,Ye Yuan,Francis Verpoort
The cyclization of propargyl alcohols with CO2represents a highly significant method for the utilization of CO2. The resulting cyclic carbonates possesses high chemical value and hold great potential for applications in battery electrolytes, polymer precursors, and pharmaceutical intermediates. However, most existing reports on this cyclization have been limited to simple propargyl alcohol substrates that are substituted with inert alkyl, cycloalkyl, and phenyl groups. For functionalized propargyl alcohols, such as alkyne-1,2-diols, only a single report has been documented thus far. In this study, we have developed an innovative catalytic system comprising cost-effective copper salts and environmentally friendly ionic liquids (CuCl/1-ethyl-3-methylimidazolium acetate) for the cyclization of alkyne-1,2-diols with CO2. Compared to the previously reported AgF/bulky monophosphine ligand (BrettPhos) system, our system is free of traditional volatile solvents, phosphine ligands, and additives. Notably, this is the first reported Cu(I)-catalyzed system for this cyclization, offering significant advantages in terms of cost-effectiveness and reduced toxicity compared to silver salts. Moreover, the use of ionic liquids ensures considerable recyclability, further enhancing the sustainability and practicality of this approach.
研究领域:
化学
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环境科学
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材料科学
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产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2025
·
IF 3.9
Alfin Kurniawan,Jian Qiang Zhong,Ze Zhen Wang,Chun Hui Zhou
Allyl alcohol, an industrially valuable intermediate in organic synthesis, is conventionally produced through selective hydrogenation of acrolein and hydrolysis of chloropropene. However, these processes currently face challenges due to the unsustainability of fossil feedstocks. A more sustainable production of allyl alcohol from renewable feedstock (i.e., glycerol) has been demonstrated through gas-phase catalytic reaction over metal oxide catalysts with and without external H2. Improved understanding of the reaction mechanism of glycerol to allyl alcohol conversion is an important effort to rationally design more efficient catalysts. In this work, we investigate gas-phase conversion of glycerol to allyl alcohol through consecutive dehydration and hydrogen transfer reactions over Mo–V oxides supported on acid-modified montmorillonite (HMMT). The use of HMMT as a support enables the well dispersion of metal oxide particles with nominal loadings up to 5 wt % on the catalyst surface while the acidic sites facilitate dehydration of glycerol to acrolein with ∼74% selectivity. By modulating the nominal total Mo+V loading, Mo–V/HMMT catalyst with a 10 wt % metal loading afforded allyl alcohol in 22% yield at 320 °C and ambient pressure. X-ray photoelectron spectroscopic analysis of this bifunctional catalyst in the as-prepared and post-catalysis (spent) states showed changes in the surface Mo(VI)═O species and V4+/V5+ redox ratio; the latter was found to decrease due to the involvement of lower valence V4+ species in the hydrogen transfer reaction of acrolein. Meanwhile, the amount of surface Mo(VI)═O species with weak electronic metal–support interaction decreases after the reaction. Catalytic tests using an aqueous acrolein feed solution suggested the role of water as a hydride donor in transfer hydrogenation of this unsaturated aldehyde to allyl alcohol, while the addition of alcohol-containing compounds, such as 2-propanol and 1,2-propanediol leads to lower allyl alcohol selectivity with time on stream. The results presented here could guide the development of improved supported Mo−V oxide catalysts and reaction systems for efficient gas-phase glycerol conversion to allyl alcohol.
研究领域:
化学工程
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催化科学
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产品关联
DOI
高影响因子
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