AICHE JOURNAL
·
2019
·Vol. 65
·期 8
·e16625
·
IF 3.463
Zhen Song,Xutao Hu,Yageng Zhou,Teng Zhou,Zhiwen Qi,Kai Sundmacher
Although double salt ionic liquids (DSILs) offer significant advantages over classical two-ion ionic liquids as separation solvents, relevant studies are still scarce and a systematic DSIL selection method is thus highly desirable. In this contribution, a rational method for designing DSILs as extraction solvents is proposed and exemplified by the thiophene/ n -octane separation. The effects of additional degrees of freedom for DSIL design (i.e., double cations and/or anions and the ion ratio) on the thermodynamic properties are first analyzed by COSMO-RS. Then, a multilevel DSIL design method combining the prediction of infinite dilution thermodynamic properties, the estimation of physical properties, the evaluation of phase equilibrium behavior, and the experimental validation is proposed. By applying this method, [C 2 MIm][OAc] x [NO 3 ] 1- x ( x = [0, 1]) and [C 2 MIm][OAc] x [SCN] 1- x ( x = [0.70, 1]) are identified as promising DSIL solvents for the thiophene/ n -octane separation. Correspondingly, the liquid–liquid equilibria of {DSILs + thiophene + n -octane} with the designed DSILs are experimentally studied.
研究领域:
化学工程
·
分离科学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Energy Chemistry
·
2017
·
IF 2.594
Zhichao Yang,Jilong Li,Yunqi Liu,Chenguang Liu
SAPO-11 molecular sieves were synthesized using silica sol, hydrophilic fumed silica , and tetraethyl orthosilicate (TEOS) as silicon precursors. Their physicochemical properties were characterized using XRD , SEM, nitrogen adsorption-desorption, Py-IR, NH 3 -TPD, EDS, and 27 Al, 31 P, 29 Si MAS NMR techniques. The catalytic performance was assessed in the hydroisomerization of n -octane. The results showed that the silicon precursors influenced the physicochemical properties and catalytic performance of SAPO-11. SAPO-11 synthesized using hydrophilic fumed silica as silicon precursor showed higher silicon distribution and had more medium acid sites. SAPO-11 synthesized using TEOS as silicon precursor had more silicon content , but more silicon islands formed in its framework. The depolymerization of silicon precursors might affect the silicon content and distribution in SAPO-11. In the hydroisomerization of n -octane, the catalytic activity strongly depended on the number of medium acid sites instead of the number of total acid sites. SAPO-11 synthesized using hydrophilic fumed silica as silicon precursor exhibited higher catalytic activity than the other samples because it has more medium acid sites.
研究领域:
催化化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CATALYSIS
·
2012
·
IF 6.002
Lin Guo,Xiaojun Bao,Yu Fan,Gang Shi,Haiyan Liu,Danjiang Bai
The structure, acidity, and n -octane di-branched isomerization of SAPO-11 synthesized with surfactants of different chain lengths in water–propanol system were investigated. The results showed that with the increasing chain length of surfactants, the crystallite size of SAPO-11 firstly decreased and then increased, but the external surface area and the active B acid sites of SAPO-11 firstly increased and then decreased. The smallest crystallite, the highest external surface area, and the most B acid sites were obtained simultaneously with the surfactant of 12 carbon atoms. The isomerization results of n -octane indicated that among the series Pt/SAPO-11 catalysts, the catalyst with DoTAB-directed SAPO-11 as support had the highest selectivity to di-branched isomers and the lowest cracking selectivity due to the largest external surface area that created more active sites to promote the formation of di-branched isomers by the key-lock mechanism and improve the diffusion of intermediates and products for reducing cracking reactions.
研究领域:
化学工程
·
催化科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2022
·Vol. 51
·期 7
·752-767
·
IF 2
Li Dan,Pang Yan,Wang Jingying,Sun Danlin,Zhang Xuena,Yue Danwei,Hao Longxia
Three C8 alkanes ( n -octane, iso -octane and ethyl cyclohexane) as additives were blended with methyl laurate to prepare binary systems of fuel blends for density, viscosity and refractive index measurement. The excess properties of volumes and viscosity of the three binary systems (methyl laurate + n -octane), (methyl laurate + iso -octane) and (methyl laurate + ethyl cyclohexane) were obtained and compared, which were also fitted to Redlich–Kister equation. The correlated values from Redlich–Kister equation are in good agreement with those from experimental data. The results can be used for the research of the mixture behaviors and development of biodiesel-diesel fuel blends.
研究领域:
物理化学
·
燃料科学
✓ 已验证
产品关联
DOI
高影响因子
THERMOCHIMICA ACTA
·
2015
·
IF 2.184
Sanguo Peng,Shi Zhang,Ying Zhang,Xiangyang Liu,Maogang He
Mutual diffusion coefficients of several short chain alcohols (ethanol, n -propanol and n -butanol) + n -octane mixtures in the temperature range from 283.2 K to 313.2 K at different concentrations were measured using holographic interferometry. The relation between the mutual diffusion coefficient with temperature, viscosity, concentration and molecular weight is investigated, respectively. The Onsager–Fuoss model is applied to analyse the various influence factors. A new correlation taking into account the effect of the temperature and concentration on the mutual diffusion coefficient is proposed to fit well the experimental data.
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
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Weichao Qin,Zenghui Li,Xinzi Zhou,Xiaolu Zhang,Xianyang Meng,Jiangtao Wu
Viscosity measurements for n-octane, ethylcyclohexane, and their binary mixtures were performed by using a vibrating-wire viscometer at temperatures between 283.15 and 363.15 K and pressures from 0.1 to 20 MPa. The combined expanded uncertainty (k = 2) of the experimental results is better than 0.02. The extended hard-sphere model was used to correlate the experimental results, and the relative deviations between the experimental data and calculated results were mostly within 1%. Moreover, the viscosity models of pure hydrocarbons combined with the mixing rules were applied to predict the viscosities of these binary mixtures. It is found that the deviations of the predicted results and the experimental viscosity data are generally within 4%.
研究领域:
化学工程
·
物理化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
Soft Matter
·
2021
·Vol. 17
·期 35
·8086-8094
·
IF 3.679
Xiaonan Li,Xirong Huang
A Good's buffer ionic liquid (GB-IL) composed of quaternary ammonium cations and Good's buffer anions is first introduced into a microemulsion system as a self-buffering and biocompatible electrolyte. The effects of the constituting ions of a GB-IL and their concentrations on the phase behavior of the anionic surfactant SDBS stabilized n-octane–H2O microemulsion system were studied for the first time using the ε–β fish-like phase diagram method. The result indicates that the phase behavior of the above microemulsion system is greatly affected by GB-IL cations with a longer alkyl chain on the cation being more favorable for phase inversion. Compared with NaCl, a GB-IL of the same concentration is more efficient for achieving phase inversion, due to the dual role of an electrolyte and a co-alcohol. In addition to the phase behavior, the stability of horseradish peroxidase (HRP) solubilized in an SDBS stabilized bicontinuous microemulsion is also affected by a GB-IL. It is found that the variation of the cationic alkyl chain has a negligible effect on the microemulsion microstructure, but has a significant influence on the stability of the solubilized HRP. At a fixed concentration of the GB-IL, the quaternary ammonium cation with a longer alkyl chain is better for the stabilization of the HRP activity. For a given GB-IL, a higher level of the GB-IL results in a better HRP stability. More importantly, the GB-IL-buffered microemulsion, at the same level of the buffering salt, is more advantageous than the phosphate-buffered one for the stabilization of the HRP activity. This advantage is more pronounced for higher concentrations of the GB-IL. This difference in the HRP stability, caused by the buffering salts, should be ascribed to the microemulsion microstructure effect as well as the Hofmeister effect. The present study provides a guideline for the construction of a bicontinuous microemulsion with a simplified composition and stabilizing effect on the solubilized enzyme.
研究领域:
胶体科学
·
化学工程
·
生物技术
·
酶工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
·
2021
·
IF 3.171
Xiaomin Qiu,Yuanyuan Shen,Zhengkun Hou,Qi Wang,Zhaoyou Zhu,Yinglong Wang,Jingwei Yang,Jun Gao
Octane and p -xylene are common components in crude gasoline, so their separation process is very important in petroleum industry . The azeotrope and near azeotrope are often separated by extractive distillation in industry, which can realize the recovery and utilization of resources. In this work, the vapor–liquid equilibrium experiment was used to obtain the vapor–liquid equilibrium properties of the difficult separation system, and on this basis, the solvent extraction mechanism was studied. The mechanism of solvent separation plays a guiding role in selecting suitable solvents for industrial separation. The interaction energy, bond length and charge density distribution of p -xylene with solvent are calculated by quantum chemistry method. The quantum chemistry calculation results and experiment results showed that N -formylmorpholine is the best solvent among the alternative solvents in the work. This work provides an effective and complete solvent screening process from phase equilibrium experiments to quantum chemical calculation. An extractive distillation simulation process with N -formylmorpholine as solvent is designed to separate octane and p -xylene. In addition, the feasibility and effectiveness of the intensified vapor recompression assisted extraction distillation are also discussed. In the extractive distillation process , the vapor recompression-assisted extraction distillation process is globally optimal. Compared with basic process, the total annual cost can be reduced by 43.2%. This study provides theoretical guidance for extractive distillation separation technology and solvent selection.
研究领域:
化工分离技术
·
石油工业
·
化学工程
✓ 已验证
DOI
高影响因子
ENERGY & FUELS
·
2019
·
IF 3.021
Shuang Zhu,Jiaolai Xu,Hanlin Cheng,Jiajun Gao,Xingmao Jiang,Chunxi Li,Weimin Yang
Poly(ethylene glycol) diacid [dcPEG, HOOCCH2(OCH2CH2)nOCH2COOH] can form a deep eutectic solvent (DES) with tetraethylammonium chloride (TEACl). The dcPEG-based DES (dcPEG-250/TEACl) as extractant (Ex) showed high performance for both basic and nonbasic N-species. In n-octane model oil, N-distribution coefficient [DN, (μgN·gEx–1)/(μgN·goil–1)] can be more than 100 for both indole and pyridine. In real oils, the DES was still effective (DN > 2.0; oil yield > 96.0%). The excellent performance was due to contributions of TEACl: (1) weakening the intermolecular interaction of dcPEG; (2) releasing Lewis basic −(OCH2CH2)n–; (3) intensifying polarity of the extractant. Extractive behaviors for the both N-species can be reflected by Freundlich- or Langmuir-like relationships between equilibrium N-contents in the extractant and the oil phases, respectively. It was interesting that, from dcPEG-250 to dcPEG-250/TEACl, the behaviors significantly changed. For the nonbasic, the extraction changed from chemical behavior with H-bonding to pseudo-physical one caused by solvent polarization. For the basic, it moved away from reactive behavior and changed to the chemical one involving acid–base interaction.
研究领域:
化学工程
·
环境化学
·
材料科学
✓ 已验证
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2019
·
IF 3.375
Chencan Du,Peicheng Wang,Yunpeng Hu,Jisong Zhang,Guangsheng Luo
The mass transfer of cyclohexanone oxime (CHO) from n-octane (continuous phase) to H2SO4 (dispersed phase) was enhanced in milliscale packed beds under large phase ratios. The holdups of two phases were determined, and the effects of structure and operating parameters on the overall mass transfer coefficient of the organic phase (K0a) were also investigated, including placement mode, surface property, size of particle and bed, flow rate and phase ratio, and CHO concentration. Different flow regimes were found in different placement modes and surface properties. Compared with tubes, packed beds showed 1 order of magnitude increase of K0a. A prediction model for K0a was proposed and showed good agreement with the experimental results. Pressure drop and energy dissipation were further measured to access the mixing efficiency. These results are therefore expected to contribute to the novel process of the caprolactam industry and expand the applications of microflow technology.
研究领域:
化学工程
·
传质
·
过程工程
·
微流控
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2024
·
IF 3.8
Zenghui Li,Weichao Qin,Juan Wang,Xianyang Meng,Jian Yang,Jiangtao Wu
Biofuels are increasingly recognized as the most practical way to reduce carbon dioxide emissions and pollution in the transport industry. However, the production and promotion of biofuels have encountered many obstacles due to their complex composition and the ambiguity in studies on the physicochemical properties. To achieve a thorough comprehension of biofuel density and viscosity properties, developing suitable surrogate mixtures is an accurate and efficient method. N-Octane, ethylcyclohexane, and ethylbenzene are important components of biofuel surrogate mixtures to reflect the thermophysical properties of three primary hydrocarbons (alkanes, cycloalkanes, and alkylbenzenes). Therefore, the liquid density and viscosity of ternary mixtures (n-octane + ethylcyclohexane + ethylbenzene) are measured using a vibrating-tube densimeter and vibrating-wire viscometer, respectively, over the temperature range from 283.15 to 363.15 K and at pressures of up to 60 MPa. Moreover, the excess volume and viscosity deviations of the mixtures were obtained. For density, the group contribution (GC) PC-statistical associating fluid theory (PC-SAFT) equation of state (EoS) and SAFT-γ Mie EoS have been compared to assess the effect of different interaction potential functions on the prediction of liquid-phase densities. The results showed that the SAFT-γ Mie EoS gave the best prediction, followed by the GC PC-SAFT EoS. In terms of viscosity, a new mapping law for effective molecular weight has been developed to improve the predictive accuracy of the 1-cEHS model, and the absolute average deviations (AAD%) are 3.3–5%. In addition, excess molar volumes and viscosity deviations in this work are derived and discussed to further explore the influence of different molecular structures on thermophysical properties.
研究领域:
化学工程
·
物理化学
·
能源科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2024
·
IF 2
Chong Yang,Shimin Xu,Yuyao Xie,Pai Lu,Hui Wang,Lihua Cheng
In this study, a comprehensive investigation was conducted to gather fundamental data for the solvent extraction and separation of n-octane and butyl acetate. Various extractants, including furfural, dimethyl sulfoxide, N,N-dimethylformamide, N-formylmorpholine, ethylene glycol, and N-methylpyrrolidone, were employed to examine the extraction and separation of their mixtures. Measurements were conducted at constant pressure and temperature of 101.3 kPa and 298.2 K, respectively. The distribution constant, separation factor, and performance index were calculated from the obtained liquid–liquid equilibrium data, offering a quantitative assessment of the effectiveness of the extractants in extracting and separating n-octane and butyl acetate. The consistency of the LLE data was validated by using the Hand and Othmer–Tobias equations. Furthermore, the experimental data were successfully correlated using the NRTL and UNIQUAC thermodynamic models. The root-mean-square deviation was used to assess the difference between the calculated results and the experimental data. In addition, the obtained binary interaction parameters were validated using GMcal_TieLinesLL software developed by Marcilla and his collaborators. Our results demonstrate the accuracy and reliability of the experimental data and correlative models, offering valuable insights that will facilitate the future development of solvent extraction separation processes involving n-octane and butyl acetate.
研究领域:
化学工程
·
热力学
·
溶剂萃取
·
过程开发
✓ 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）