JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Lingxiao Cai,Jiajia Yin,Xiaopo Wang
The density and viscosity of binary mixtures of polyoxymethylene dimethyl ethers (PODEn) with three 1-alcohols (1-propanol, 1-butanol, and 1-pentanol) were investigated in this work from 303.15 to 333.15 K and at atmospheric pressure. The measurements were conducted by a vibrating-tube method for density and a capillary-tube method for viscosity. The densities and viscosities of the mixtures were correlated by the Jouyban–Acree model and McAllister four-body model, respectively. In addition, the excess molar volumes and the viscosity deviations of the mixtures were computed and correlated by the Redlich–Kister equation, and the discussion about the excess molar volumes and viscosity deviations was carried out.
研究领域:
物理化学
·
材料科学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2016
·
IF 2.196
Lejun Feng,Danxing Zheng,Weijia Huang
In this work, three new working pairs, {fluoroethane (HFC161) + dimethylether tetraethylene glycol (DMETEG)}, {HFC161 + dimethylether triethylene glycol (DMETrEG)} and {HFC161 + dimethylether diethylene glycol (DMEDEG)}, are proposed for absorption power cycle. The working pairs are assessed from both thermodynamics and thermokinetic perspective. By combining the microcalorimetry and isothermal synthesis methods, an experimental apparatus was developed to simultaneously obtain the microcalorimetry and vapour–liquid equilibrium data. Then, the solubility and absorption enthalpy data of the three new working pairs were sync-measured at 303.15 K by this sync-measurement experimental apparatus. The thermodynamics data indicated that the affinities of the three working pairs increased from strong to weak in the following order: HFC161 + DMETEG > HFC161 + DMETrEG > HFC161 + DMEDEG. Then the thermokinetic parameters of the absorption rate constant and activation energy were analysed based on the thermokinetic experiment at (303.15, 313.15, 323.15, and 333.15) K. As a result, the affinities of the three working pairs are consistent with the previous thermodynamics study. In addition, the intermolecular interactions within the three systems were analysed according to the intermolecular hydrogen bonds; overall, the (HFC161 + DMETEG) system is considered to be the potential option for applications.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Lixin Song,Guobin Liu,Zhenping Qu
CO 2 hydrogenation to methanol and/or dimethyl ether (DME) holds promise for mitigating greenhouse gas effects and addressing energy scarcity. However, the relationship between product selectivity and the collective nature of the catalysts remains ambiguous due to the intricate reaction network. Here, a series of Cu/Zn x Al y O z catalysts with different surface properties have been engineered by manipulating the Zn/Al ratio to achieve product controllability for CO 2 hydrogenation. The results unveil the pivotal role of the H 2 dissociation capability in governing CO 2 conversion, which is regulated by the concentration of Cu 0 species. Furthermore, the number of surface hydroxyl groups, the proportion of moderately strong basic sites and moderately strong acidic sites show desirable linear correlations with the selectivity of CO, CH 3 OH, and DME, respectively. Importantly, the ZnAl 2 O 4 -Al 2 O 3 or Cu-ZnAl 2 O 4 -Al 2 O 3 interface notably enhances moderately strong acidic sites, aiding methanol dehydration to DME. This work offers a comprehensive guide to the rational design of catalysts for oriented product synthesis from CO 2 hydrogenation.
研究领域:
催化化学
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能源化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
ACS Sustainable Chemistry & Engineering
·
2020
·
IF 7.632
Wen Li,Kuncan Wang,Guowu Zhan,Jiale Huang,Qingbiao Li
The chemical transformation of CO2 to value-added chemicals and fuels remains a daunting research challenge, requiring the development of more efficient catalysts. The present work offers highly active integrated nanocatalysts for CO2 hydrogenation to dimethyl ether (DME) through tandem catalysis, that is, Pd/ZnO converts CO2 to methanol, and bio-ZSM-5 further catalyzes methanol dehydration to DME. Notably, the hierarchically porous bio-ZSM-5 with high pore connectivity was prepared by using low-cost rice husk and luffa sponge as biotemplates. The formation of bio-ZSM-5 involved three consecutive steps, including (i) diffusion of precursor species, (ii) confined crystal growth, and (iii) calcination treatment to remove the residual biomass. Interestingly, the obtained bio-ZSM-5 possesses abundant hierarchical porosity, including the intrinsic micropores from ZSM-5 frameworks, the mesopores from intracrystalline void space or pinholes in the intergrown zeolite layers, and the macroscopic channels from the original biomass architecture. It was found that the tetrapropylammonium hydroxide amount and Si/Al ratio were two critical factors affecting the crystallinity and porosity of the bio-ZSM-5. The silicon content in biomass (8.3 wt % in rice husk and 0.016 wt % in luffa sponge) also played a crucial role in the synthesis of bio-ZSM-5. Different spatial configurations of Pd/ZnO and bio-ZSM-5 significantly affected the DME yield, wherein spatial distances between the bio-ZSM-5 and Pd/ZnO components were adjusted by controlling the size of Pd/ZnO or the integration manners. The current results indicated that the closest proximity of the bifunctional catalyst was unfavorable for DME production (selectivity < 3%), because of which low-valent Zn cations from Pd/ZnO could displace the Brønsted acid sites on bio-ZSM-5 by ion exchange, and the powder mixing in the mortar was the best combination configuration of Pd/ZnO and bio-ZSM-5, promoting the CO2 conversion (10.8%) with a DME selectivity of 31% under the reaction of 300 °C and 30 bar. Furthermore, as compared to the traditional ZSM-5 based catalyst, the obtained Pd/ZnO/bio-ZSM-5 bifunctional catalysts showed excellent long-term stability in 60 h on stream with a less amount of coke formed in the spent catalysts.
研究领域:
催化化学
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材料科学
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2016
·
IF 1.835
Xiaohong Han,Zhangzhang Yang,Zanjun Gao,Wenjie Guan,Guangming Chen
Fluoroethane (HFC-161) is one of the most promising alternative refrigerants because of its excellent environmental and thermodynamic properties. It was considered as one of the most promising absorption working fluids in the absorption refrigeration. To make a better application of the refrigerant in absorption refrigeration systems, suitable absorbents should be selected for matching HFC-161. Vapor–liquid equilibrium (VLE) data is the key of the chemical engineering simulation and the refrigeration cycle calculation. On the basis of these, the vapor–liquid equilibrium data for the mixture of HFC-161 + dimethyl ether triethylene glycol were obtained at temperatures from 293.15 to 353.15 K by using a recirculation apparatus. The VLE data were then correlated by the Peng−Robinson (PR) equation of state combined with the modified Huron-Vidal first order (MHV1) mixing rule and nonrandom two liquid (NRTL) model. The experimental results had a good consistency with calculated values. Phase behaviors of HFC-161 combined with different absorbents were compared in this paper.
研究领域:
化学工程
·
制冷技术
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2024
·
IF 3.8
Chi Sun,Yudong Xia,Xue Ye,Wenlin Xu,Hui Shi,Xinhua Gao,Jinghao Yu,Lisheng Guo,Jie Li
The direct dimethyl ether (DME) synthesis reaction via CO2 hydrogenation typically requires a bifunctional catalyst that effectively combines a methanol synthesis catalyst with a methanol dehydration catalyst, but the effect of the relationship between the two catalysts on the catalytic performance has not been as well studied. In this study, we developed a CuZnZr/Al–S(10)-PG bifunctional catalyst physically mixed with Al-modified SBA-15 and the traditional CuZnZr catalyst for the hydrogenation of CO2 to DME. A pivotal discovery is that the modulation of interaction intensity between these two constituents significantly influences the electronic configuration of each component. Through X-ray photoelectron spectroscopy characterization and methanol dehydration experiments, it was confirmed that diminishing the synergistic interplay between CuZnZr and Al-modified SBA-15, which regulated the electronic structure of the Cu–Zn interface and enhanced the Cu–Zn interfacial interaction, played a crucial role in enhancing the catalyst’s performance in CO2 hydrogenation to DME. This finding contests established beliefs about the necessity of strong synergistic interactions in such systems and provides new insights for designing rational bifunctional catalysts.
研究领域:
催化化学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
·
2019
·
IF 3.47
Chenguang Wang,Zhan Si,Xiaoping Wu,Wei Lv,Kang Bi,Xinghua Zhang,Lungang Chen,Ying Xu,Qi Zhang,Longlong Ma
In this paper, we study the production of aromatic hydrocarbons by co-feeding furans and methanol in a continuous flow fixed-bed reactor over HZSM-5 at 400–600 °C. The effects of reaction temperature, weight hourly space velocity ( WHSV ), furan to methanol molar ratio and time on stream on the product distribution were investigated. Maximum aromatics yield of 42.0% was obtained over HZSM-5 (Si/Al = 25) with 2-methylfuran (MF) to methanol molar ratio of 1:5 at 500 °C. With the methanol to MF molar ratio increasing from 0 to 5, the conversion of MF increased from 64.7% to 100.0% and the yield of coke decreased from 22.3% to 11.4%. In this process, dimethyl ether derived from methanol dehydration could promote the conversion of MF to aromatic hydrocarbons via Diels-Alder reaction. HZSM-5 with Si/Al ratio of 25 exhibited superior catalytic activity, indicating that strong acidity was necessary for the coupling conversion of MF and methanol. Additionally, the coupling conversions of 2,5-dimethylfuran (DMF), furfural (FF) and furfuryl alcohol (FA) and methanol were investigated. Functional groups of furan rings did not change the formation pathway of aromatic hydrocarbons but they have different constraints on the Diels-Alder reaction of furan ring with olefins .
研究领域:
化学工程
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催化科学
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF THERMOPHYSICS
·
2025
·Vol. 46
·期 3
·1-20
·
IF 2.9
Jin Guofan,Shi Jianrong,Wang Xiaopo
Both polyoxymethylene dimethyl ethers (OME n ) and biodiesel are considered as promising alternatives or additives to traditional fuels. The addition of OMEs to biodiesel can realize complementary advantages. The physical properties of OME n , biodiesel, or OME n /biodiesel blends are decisive for the performance of internal combustion engines. In this work, density and viscosity of mixtures of OME n with three typical components of biodiesel (methyl decanoate, methyl dodecanoate, and methyl tetradecanoate) were measured from 303.15 K to 333.15 K at atmospheric pressure. The vibrating-tube method and capillary-tube method were used for the present density and viscosity measurement, respectively. The combined relative uncertainty is 0.1% for density and 1.5% for viscosity ( k = 2). The experimental results were fitted by Jouyban-Acree model and McAllister model. Moreover, the excess properties of each mixture including excess molar volume and viscosity deviations were discussed.
研究领域:
能源科学
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2020
·
IF 4.939
Liying Zeng,Yizhou Wang,Jun Mou,Fei Liu,Chunliang Yang,Tianxiang Zhao,Xiaodan Wang,Jianxin Cao
γ-Al 2 O 3 was composited with ZSM-5 molecular sieve to improve its catalytic performance and hydrothermal stability during the conversion of crude methanol into dimethyl ether (DME). When prepared by a liquid-phase coating chemical compounding, the ZSM-5/γ-Al 2 O 3 composite catalyst reached an excellent methanol conversion of 91.9% and DME selectivity of 100%. The DME yield was increased by about 13% compared to only using γ-Al 2 O 3 . Partial desiliconization and dealumination of the ZSM-5 molecular sieve effectively reduced the surface acid center strength and increased the mesoporous ratio. The special composite phase interface effectively decreased surface charge density of γ-Al 2 O 3 and formed the B (Brønsted) - L (Lewis) synergistic active centers. All these factors contribute to improving the catalytic performance, hydrothermal stability and resistance to deactivation of ZSM-5/γ-Al 2 O 3 during the conversion of crude methanol to DME.
研究领域:
化学工程
·
催化材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2021
·
IF 3.178
Yueyang Jiang,Song Lin,Houchun Yan,Hongyue Guo,Qingsong Li
Liquid-liquid equilibrium (LLE) data for water + diethylene glycol dimethyl ether + {methyl isobutyl carbinol, methyl isobutyl ketone, methyl isopropyl ketone, methyl tert -butyl ether, n -octanol and 2-ethyl-1-hexanol} was measured at 298.2 K under 101.3 kPa. The effect of separating diethylene glycol dimethyl ether from water is evaluated by the distribution coefficient and the separation coefficient. The Othmer-Tobias and Hand equations were chosen to examine the experimental LLE data. Meanwhile, the data was correlated by the NRTL and UNIQUAC thermodynamic models with AAD % less than 0.55 and RMSD % less than 0.77. The separation performance of six solvents was compared using the σ -profile analysis via the exploration of the intermolecular interaction.
研究领域:
化学工程
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
JACS Au
·
2023
·
IF 8
Qi Yang,Xiujuan Gao,Faen Song,Xiaoxing Wang,Tao Zhang,Pan Xiong,Yunxing Bai,Xingchen Liu,Xiaoyan Liu,Junfeng Zhang,Gang Fu,Yisheng Tan,Yizhuo Han,Qingde Zhang
Selective oxidation of C–H bonds under mild conditions is one of the most important and challenging issues in utilization of energy-related molecules. Molybdenum oxide nanostructures containing Mo5+ species are effective for these reactions, but the accurate identification of the structure of active Mo5+ species and the catalytic mechanism remain unclear. Herein, unsaturated penta-coordinated Mo5c5+ with a high fraction in MoOx fabricated by the hydrothermal method were identified as the active sites for low-temperature oxidation of dimethyl ether (DME) by the deep correlation of characterizations, density functional theory calculations, and activity results, giving a methyl formate selectivity of 96.3% and DME conversion of 12.5% at unreported 110 °C. Low-temperature electron spin resonance (ESR) and quasi in situ X-ray photoelectron spectra (XPS) with the designed experiments confirm that the Mo5c5+ species can be formed in situ. Molybdenum located at the pentachronic site is preferable to significantly promote the oxidation of the C–H bond in CH3O* at lower temperatures.
研究领域:
化学
·
材料科学
·
能源化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MICROPOROUS AND MESOPOROUS MATERIALS
·
2020
·
IF 4.551
Baoyu Wang,Ximing Yan,Haiyan Zhang
Zeolite/binder (beta/Al 2 O 3 ) was treated with different concentrations of phosphoric acid , and the samples pre- and post-treatment were characterized by several methods. It was found that the content of tetrahedral framework Al species in the beta zeolite increased after the sample was impregnated with phosphoric acid, and the generated aluminophosphate reduced the external surface area of the catalyst but had no effects on the catalytic ability of the beta zeolite. The realumination behavior of beta zeolite is proposed in this work. Polyphosphate reacted with hexa-coordinated aluminum , resulting in the formation of amorphous aluminophosphate species, which were then transferred to the silicon hydroxyl structure cavity on the zeolite to complete realumination. The influence of the sample before and after phosphoric acid modification on the activity of synthesized polyoxymethylene dimethyl ethers was discussed. When the phosphoric acid concentration was 0.5 M, the time to reach the same conversion of trioxane (about 94%) was shortened by 60 min compared to the parent sample.
研究领域:
化学工程
·
催化科学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）