SEPARATION AND PURIFICATION TECHNOLOGY
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2019
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IF 5.107
Yuhao Zhang,Hui Wang,Liang Zhao,Jinsen Gao,Chunming Xu
The performance of dimethyl sulfoxide (DMSO) solvent in separating olefins from aromatics and thiophene sulfides was evaluated through a series of ternary liquid-liquid equilibrium (LLE) experiments at 101.325 kPa and 303.15 K. The influences of the structures of olefins, aromatics, and thiophene sulfides on the separation efficiency were analyzed. Normal 1-hexene and isomer 2,4,4-trimethyl-1-pentene were easily separated from aromatics or thiophene sulfides, which only contain aromatic ring structures, such as benzene and thiophene. The reason is that the induced dipole on the aromatic ring structure introduced by the DMSO solvent significantly improved the polarity of aromatics and thiophene sulfide molecules, thereby enhancing the interaction with the ring structure. In addition, olefins were easier to separate from thiophene sulfides than from aromatics. The olefin separation factor of separating 2,4,4-trimethyl-1-pentene from thiophene was three times greater than that of separating the same olefin from benzene. The binary parameters between DMSO and olefins, aromatics, and thiophene sulfides for NRTL and UNIQUAC models were obtained through ternary LLE experiments. The maximum value of the root-mean-square deviation of the simulated compositions of phases compared with experimental data was 0.0052 in the two adopted models. Hence, the regressed binary parameters could efficiently describe the experimental LLE process. On the basis of the obtained binary parameters, the NRTL and UNIQUAC models are suitable for predicting the performance of olefin separation from fluid catalytic cracking naphtha. However, the NRTL model is more precise than the UNIQUAC model.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2016
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IF 1.835
Hui Ding,Yujie Gao,Jiaqi Li,Jinlong Qi,Hang Zhou,Shejiang Liu,Xu Han
The vapor–liquid equilibrium (VLE) data for the binary system isopropyl alcohol + dimethyl sulfoxide (DMSO), isopropyl acetate + DMSO, and ternary system isopropyl alcohol + isopropyl acetate + DMSO were measured with a VLE modified Othmer still at 101.3 kPa. The experimental data were proved to be thermodynamically consistent when the point-to-point consistency test of Van Ness test was applied. The binary experimental data were correlated with the nonrandom two-liquid (NRTL), Wilson, and universal quasichemical (UNIQUAC) activity coefficient models. Then, the ternary VLE data were predicted with the obtained binary interaction parameters. The results indicate that the values of equilibrium temperature and vapor mole fraction calculated by the NRTL, Wilson, and UNIQUAC models are in good agreement with the experimental data. When the mole ratio of the binary azeotrope to DMSO was 1:1.5, the binary azeotrope of isopropyl alcohol and isopropyl acetate was eliminated. Therefore, DMSO is a potential extractive agent to separate the azeotrope by extractive distillation.
研究领域:
化学工程
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物理化学
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产品关联
DOI
高影响因子
ACS Sustainable Chemistry & Engineering
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2016
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IF 5.267
Yao-Bing Huang,Ping-Ping Xin,Jia-Xin Li,Yue-Ying Shao,Chao-Bo Huang,Hui Pan
The dissolution of cellulose in tetrabutylammonium acetate (TBAA) and dimethyl sulfoxide (DMSO) mixed solvent was studied at room temperature (approximately 25 °C). The ratio of TBAA in the mixed solvent system (WTBAA) was found to have great influence on the solubility of cellulose and the corresponding dissolution time. The mixed solvent of WTBAA = 0.15 possessed the highest cellulose solubility and shortest dissolution time. Various cellulosic materials were well-dissolved in the solvent with a maximum solubility up to 8.17 wt %. A mechanistic study regarding the interaction between the solvent system and the model compound cellobiose was conducted using 1H NMR, 13C NMR, ATR-FTIR, conductivity, and viscosity measurements. The results implied that TBAA existed at two different states in the mixed solvent as the ratio of TBAA varied (i.e., ion-split stage (WTBAA ≤ 0.15) and ion-paired stage (WTBAA ≥ 0.15)). WTBAA = 0.15 was the turning point of these two stages, and the mixed solvent displayed the best dissolving ability at this ratio. This finding suggests that a balance between the ion concentration and ion mobility is crucial to the dissolving ability of a mixed solvent. The solvation effect of the cosolvent DMSO helped to dissociate TBAA into free ions and facilitate the ion mobility. The hydroxyl protons of cellobiose were demonstrated to form strong hydrogen bonds with CH3COO–, which was key to the dissolution of cellulose. Finally, the interaction between cellobiose and DMSO in the TBAA/DMSO/cellobiose system was investigated and was demonstrated to be another important factor for the dissolution of cellulose by stabilizing the dissolved cellulose chain from further formation of inter- and intramolecular hydrogen bonds.
研究领域:
化学工程
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材料科学
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生物化学
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DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2023
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IF 4.2
Hongjie Chen,Haoquan Hu
Depolymerization of polyethylene terephthalate (PET) in alkaline mixed solutions can be carried out efficiently. However, the direction of the suitable solvent system selection is unclear, limiting the development of this approach. To address this problem, the effect of solvents on the alkaline hydrolysis of PET is discussed from the perspective of hydroxide reactivity. Dimethyl sulfoxide, 1,3-dimethyl-2-imidazolidinone (DMI), tetrahydrofuran, dioxane, water, toluene, and CCl4 were used as a cosolvent for the alkaline hydrolysis of PET in ethylene glycol (EG) to regulate the hydroxide reactivity. The results show that a cosolvent that can act as a hydrogen-bond acceptor but not as a hydrogen-bond donor is suitable because this cosolvent can compete with hydroxide for hydrogen-bond formation with EG and improve the hydroxide reactivity. According to this direction, a PET recycling scheme based on a DMI-EG-NaOH system is designed, which is highly efficient and cost-effective.
研究领域:
化学工程
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材料科学
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产品关联
DOI
高影响因子
ACS Sustainable Chemistry & Engineering
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2018
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IF 6.14
Xiao Chen,Xinfei Chen,Xu-Min Cai,Shenlin Huang,Fei Wang
9.19 wt % of microcrystalline cellulose (MCC) could be dissolved in a new mixed solvent of tetra(n-butyl)ammonium hydroxide (TBAH; 20 wt %) and dimethyl sulfoxide (DMSO; 80 wt %) within 5 min at room temperature. The ratio of TBAH in the mixed solvent (WTBAH) is found to exert great influence on the solubility of cellulose. Dissolution mechanism relative to radical reactions has been proposed according to electron spin resonance (ESR) and UV–vis results, showing positive correlation between cellulose solubility and the radical amount produced in the mixed solvent (i.e., WTBAH). Partial degradation of the reducing AGU terminals via radical attack could be observed, followed by recombination of cellulose chain radicals, resulting in amorphous structures of all regenerated cellulose with higher average degree of polymerization values. Therefore, dissolution mechanism with regard to radical reactions has been proposed in this letter, supplementing the predominant electron donor–acceptor complexation theory.
研究领域:
化学工程
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材料科学
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生物质研究
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2022
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IF 6.633
Shen Zhang,Caidi Jin,Kuichuan Sheng,Ximing Zhang
5-hydroxymethylfurfural (HMF) primary can be synthesized from monosaccharides including glucose and fructose, cost is one of barriers to realize HMF large-scale production. In this study, a high HMF yield of 69.6 mol% was obtained at 180℃ for 5 min using biomass derived cellulose formate as reactant, which was prepared by formylation of cellulose using recyclable formic acid, and sequentially catalyzed by hydrochloric acid (HCl) and aluminum chloride (AlCl 3 ) in dimethyl sulfoxide (DMSO) and H 2 O system. To investigate the effect of cosolvents and formyl groups on the cellulose formate conversion, kinetics analysis and molecular dynamics simulations were conducted. Reaction kinetics study shows that the rate constant of hydrolysis of cellulose formate to glucose increased by almost three times in DMSO-H 2 O and the reaction rates’ constants of glucose, fructose and HMF to humins decreased with the presence of DMSO. Molecular dynamics simulations show that formyl group and DMSO increased its hydrophilicity around the reactive hydroxyl group on the carbon ring and steric hindrance of formyl group affect the distribution of water molecular and DMSO molecular around formylated glucose, resulting in facilitating the formation of a precursor to fructose and inhibiting the formation of humins during formylated glucose conversion.
研究领域:
化学工程
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生物化学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2018
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IF 2.196
Danxia Shen,Tao Chen,Peng Bai,Xianghai Guo
The isobaric vapor–liquid equilibrium (VLE) data for the binary systems 2-methoxyethanol + ethylbenzene, ethylbenzene + dimethyl sulfoxide (DMSO), and 2-methoxyethanol + DMSO and the ternary system 2-methoxyethanol + ethylbenzene + DMSO were measured with a Fischer VLE 602 apparatus at 100.00 kPa. The VLE data for all the binary and ternary systems were thermodynamically consistent and passed the Wisniak’s L–W test. The binary VLE data were correlated with the Wilson, nonrandom two-liquid, and universal quasichemical models with minor deviations. The ternary VLE data predicted from the corresponding binary interaction parameters agreed well with the experimental data. The azeotropic temperature and composition of the 2-methoxyethanol and ethylbenzene azeotropic mixture at 100.00 kPa were 391.05 K and 60.15 mol % 2-methoxyethanol, respectively. Additionally, the azeotrope disappeared after adding DMSO, which confirms that DMSO can serve as a prospective entrainer for separating 2-methoxyethanol from ethylbenzene in the extractive distillation process.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
CATALYSIS TODAY
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2014
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IF 3.309
Songyan Jia,Kairui Liu,Zhanwei Xu,Peifang Yan,Wenjuan Xu,Xiumei Liu,Z. Conrad Zhang
While chromium trichloride hydrate (CrCl 3 ·6H 2 O) effectively catalyzed the isomerization of glucose into fructose in aqueous solution, a general product selectivity behavior was observed independent of reaction variables such as reaction time, temperature, catalyst loading, halide ion, and initial glucose concentration. By studying the mixed solution of dimethylsulfoxide (DMSO) and water at varied DMSO/H 2 O ratios, it was found that deviation from the general water-phase fructose yield curve, with concomitant 5-hydroxymethylfurfral (HMF) formation, occurred when the fructose concentration in available water became sufficiently high in DMSO rich solvent mix. Therefore, tuning the solvent system was the most effective approach to change the product distribution from CrCl 3 ·6H 2 O catalyzed glucose conversion. The apparent activation energy of glucose conversion in the studied system was estimated to be 58.6 kJ mol −1 . Special attention was also given to gain some mechanistic insights by control experiments with simple model compounds and additives, 13 C NMR and UV–vis spectroscopic analyses.
研究领域:
化学工程
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催化
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有机化学
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产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2024
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IF 13.3
Lijian Jin,Xueyan Hou,Lingxiao Zhan,Shangzhi Xie,Lina Gu,Hangqi Yang,Xin Wang,Xinfeng Qian,Jianchong Shen,Linjun Yang
In order to ameliorate the issues of corrosion and high regeneration energy associated with traditional biphasic solvents, a nonaqueous biphasic solvent has been proposed as a potential alternative. This study introduces Tetramethylethylenediamine (TMEDA) as a phase splitter within the Ethanolamine (MEA)/Dimethyl sulfoxide (DMSO) system, resulting in a novel nonaqueous biphasic solvent, TMEDA/MEA/DMSO. Compared with other screened phase splitters, the appropriate polar size and intermolecular interaction force of TMEDA are the key factors that make it comply with the screening of nonaqueous biphasic solvent. When the mass ratio of TMEDA/MEA/DMSO is maintained at 3:3:4, the CO 2 loading attains 0.54 mol (CO 2 )/mol (MEA), with the rich phase comprising 75 % of the total. 13 C NMR and FT-IR characteristics showed that the absorbent product is mainly in the form of MEACOO − /MEAH + . Absorption and phase separation mechanisms of absorbent elucidated by DFT calculations and molecular dynamics simulations. The limited opportunity for TMEDA to interact with MEA molecules emerges as the primary reason for its reduced involvement in the reaction, with the inclusion of TMEDA intensifying the aggregation of MEACOO − /MEAH + and triggering phase transition. In comparison to a 30 wt% MEA water-based absorbent, TMEDA/MEA/DMSO exhibits a 40 % reduction in regeneration energy (estimate) and possesses energy-saving attributes, rendering it a promising 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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材料科学
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产品关联
DOI
高影响因子
Journal of Macromolecular Science Part A-Pure and Applied Chemistry
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2019
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IF 1.163
Jian Hao,Feng An,Chunxiang Lu,Yaodong Liu
New insights for the effects of organic solvent polarities and solvent-monomer interactions on the radical copolymerization for an important copolymer, poly(acrylonitrile-co-methyl acrylate) (PAN-co-MA), were provided in this research. Solvents, dimethylformamide (DMF), dimethylacetamide (DMAc) and dimethyl sulfoxide (DMSO), were used as reaction media. The polarity of these solvents was in the sequence of DMAc < DMF < DMSO. By studying the reactivity ratios of AN and MA, the triad fractions of the resultant copolymers, the interactions between monomers and solvents, and the compositions of copolymers at various conversions, we concluded that the solvent polarity had minimal influence on the copolymerization of AN and MA, while the solvent-monomer interactions played important roles. The interactions between monomer-monomer, monomer-solvent, and solvent-solvent, were calculated based on quantum chemistry methods. Both theoretical calculations and experimental results suggested that AN and MA in DMSO tended to aggregate locally, while they could be homogeneously dissolved in DMAc and DMF. The interactions between solvent and monomers could cause local monomer concentration variations, or ‘bootstrap’ effect, which is one of the critical factors affecting the copolymerization process of AN and MA and the chemical structures of the resultant polymers.
研究领域:
高分子化学
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物理化学
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材料科学
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化学工程
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）