JOURNAL OF CHEMICAL THERMODYNAMICS
·
2019
·
IF 2.29
Xuzhao Yang,Jun Wang,Yun Fang
Experimental s olubility of D-(+)-glucose and D-(−)-fructose in three asymmetrical dicationic ionic liquids (DILs), 1-(3-(trimethylammonio)prop-1-yl)-3-methylimidazolium bis(dicyanamide) ([MIMC 3 N 111 ][N(CN) 2 ] 2 ), 1-(3-(trimethylammonio)prop-1-yl)-1-methylpiperidinium bis(dicyanamide) ([MPiC 3 N 111 ][N(CN) 2 ] 2 ) and 1-(3-(trimethylammonio)prop-1-yl)pyridinium bis(dicyanamide) ([PyC 3 N 111 ][N(CN) 2 ] 2 ), was determined through an isothermal technique from 323.15 K to 353.15 K at 0.1 MPa. The solubility of the two sugars in selected DILs increased with elevating temperature and the solubility decreased in the following order: D-(−)-fructose > D-(+)-glucose. The Apelblat, λh , NRTL, Wilson and UINQUAC models were respectively employed to correlate the experimental solubility values with temperature. The thermodynamics of dissolution of D-(+)-glucose and D-(−)-fructose in the studied DILs, enthalpy of dissolution (Δ diss 0 H ), Gibbs energy of dissolution (Δ diss 0 G ) and entropy of dissolution (Δ diss 0 S ), were also evaluated based on the experimental solubility data. The results indicated that enthalpic contributions were dominant in the dissolution process of D-(+)-glucose and D-(−)-fructose in those DILs.
研究领域:
物理化学
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溶液化学
·
热力学
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绿色溶剂
·
碳水化合物化学
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING RESEARCH & DESIGN
·
2024
·
IF 3.7
Xiangyi Kong,Jie Cheng,Wei Meng,Shujing Han,Zhen Song,Zhiwen Qi
As a volatile organic compound (VOC), styrene can pose significant risks to human health and environment if released into the air without proper treatment. Absorption based on ionic liquids (ILs) has been widely regarded as a promising VOC treatment approach, whereas there is limited research on capturing styrene by ILs. In this work, a multilevel framework was proposed to screen IL absorbents from the largest number of cation-anion combinations in the latest COSMObase. The COSMO-RS model is applied to estimate the absorption and desorption potentials of all IL candidates for styrene capture based on solubility prediction, while important physical properties of them namely melting point, viscosity, and toxicity are estimated by a recently-reported deep learning model. A parallel screening specific to the commercially available ILs in the initial candidate database was also performed. The top-ranked three ILs, identified in both scenarios with and without limiting the commercially availability, were further evaluated in a simulated absorption-desorption process in Aspen Plus. The most promising ILs in each scenario were figured out, which vividly demonstrates the value of discovering novel ILs.
研究领域:
环境化学
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化学工程
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绿色溶剂
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计算化学
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大气污染控制
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2017
·
IF 2.726
Dongshun Deng,Xiaobang Liu,Yanhong Cui,Yaotai Jiang
Solubilities of SO 2 have been determined in four biobased solvents (BBSs) at temperatures between 293.15 K and 323.15 K with 10 K intervals and pressure scope of (0–120.0) kPa using isochoric saturation method. The BBSs were selected from butyl lactate (BL), glyceryl triacetate (GT), triethyl citrate (TEC), and acetyl triethyl citrate (ATEC). Henry’s constants and thermodynamic properties such as Gibbs free energy , enthalpy and entropy of dissolution were derived from the solubility data. The gravimetric solubilities of SO 2 in BBSs were in the range of (0.07–8.52) mol.kg −1 and changed with the sequence of GT > BL > TEC ≈ ATEC. All the dissolution enthalpies were negative at each condition. The performances of SO 2 absorption in these solvents were further compared with those in some ionic liquids as well as common absorbents. The results illustrated that present BBSs possessed the potentiality as SO 2 absorbents due to their relatively large absorption ability, small absorption enthalpy, low toxicity, and biodegradability.
研究领域:
化学工程
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环境化学
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热力学
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绿色溶剂
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气体吸收
✓ 已验证
DOI
高影响因子
CARBOHYDRATE POLYMERS
·
2018
·
IF 5.158
Xin Zheng,Fang Huang,Lihui Chen,Liulian Huang,Shilin Cao,Xiaojuan Ma
Three ionic liquids (ILs) with increasing dissolution power, 1-butyl-3-methylimidazolium chloride ([Bmim][Cl]), 1-allyl-3-methylimidazolium chloride ([Amim][Cl]), and 1-ethyl-3-methylimidazolium acetate ([Emim][Ac]), were selected for cellulose dissolution and film preparation through regeneration. The physical properties of the films were investigated, and the correlation between the IL used and the film properties was evaluated. The results indicated that the superior cellulose dissolution system, [Emim][Ac], had the most difficult regeneration process (i.e., more time was required for gel formation), followed by [Amim][Cl], and [Bmim][Cl]. On the other hand, the film produced from [Amim][Cl] had the highest crystallinity, transparency, and tensile strength, followed by the films produced from [Bmim][Cl] and [Emim][Ac]. It was inferred that stronger and more ordered molecular arrangements and inter-molecular interactions preferentially occurred during cellulose regeneration from [Amim][Cl] than during cellulose regeneration from [Bmim][Cl] and [Emim][Ac].
研究领域:
高分子科学
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材料化学
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纤维素化学
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绿色溶剂
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薄膜材料
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2018
·
IF 6.735
Dongshun Deng,Bao Gao,Chao Zhang,Xiuzhi Duan,Yanhong Cui,Jingheng Ning
Ammonia (NH 3 ) is not only a harmful gas to environmental problem, but also a fundamental raw material in chemical industry. The effective separation and recovery of NH 3 from exhaust gas at low cost still remains a challenge for a long time. In this study, a new strategy to construct protic deep eutectic solvents (DESs) by paring NH 4 SCN as hydrogen-bond acceptor with various hydrogen-bond donors [glycerol (G), ethylene glycol (EG), urea (U), acetamide (AT), and caprolactam (CL)] was proposed for efficient and reversible absorption of NH 3 . Results showed that all the DESs possessed exceptional NH 3 absorption capacity and high NH 3 /CO 2 selectivity. At 303 K and 0.10 MPa, the absorption capacity of NH 3 in NH 4 SCN-glycerol (2:3) is as high as 0.223 g NH 3 per g DES, which is much higher than all reported functional ILs and DESs up to date. The NH 3 saturated DES was easily regenerated and recycled 25 times with persistent absorption performance. The influences of DES composition, temperature, NH 3 partial pressure on NH 3 absorption performance were also explored in detail. The absorption mechanism was analyzed using NMR spectroscopy and quantum calculation. These protic NH 4 SCN-based DESs presented as promising absorbents for NH 3 because of their high absorption capacity and good reversibility.
研究领域:
环境化学
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分离科学
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绿色溶剂
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气体吸收
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化学工程
✓ 已验证
DOI
高影响因子
JOURNAL OF APPLIED POLYMER SCIENCE
·
2017
·Vol. 134
·期 46
·45484
·
IF 1.86
Teng Xue,Erjun Tang,Jian Zhou,Ruitao Han,Shaojie Liu
A coordinating ionic liquid (IL), 1-[(diethyl amine)amine]ethyl-3-methyl imidazolium chloride ([N 3 MIM]Cl), was prepared as an alternative to a simple organic ligand to coordinate to copper(I) bromide (CuBr). We, thereby, obtained a novel catalyst for atom transfer radical polymerization (ATRP) reactions. This catalyst was applied to the ATRP of methyl methacrylate in the IL 1-allyl-3-methyl imidazolium chloride ([AMIM]Cl). The chemical structures of the ILs obtained were confirmed by Fourier transform infrared spectroscopy, mass spectrometry, and 1 H-NMR analyses. The coordination ability of [N 3 MIM]Cl was assessed by cyclic voltammetry, and the redox potential of [N 3 MIM]Cl–CuBr was −0.507 V. The [N 3 MIM]Cl–CuBr complex was expected to be a markedly more active catalyst than the amine DETA–CuBr complex. The coordination mode toward CuBr was also examined. The [N 3 MIM]Cl–CuBr catalyst system showed good controllability in the aforementioned ATRP reaction in [AMIM]Cl. The Cu catalyst was easily separated from the obtained polymer with the coordinating IL as a ligand. Consequently, the coordinating IL overcame the shortcomings of traditional organic ligands, such as poor compatibility with IL media and poor separation of the catalyst from the polymer; this makes it highly promising for applications in the ATRP field. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017 , 134 , 45484.
研究领域:
高分子化学
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催化化学
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功能材料
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绿色溶剂
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配位化学
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电化学
✓ 已验证
DOI
高影响因子
CARBOHYDRATE POLYMERS
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2015
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IF 4.074
Chao Zhong,Chunming Wang,Fengxue Wang,Honghua Jia,Ping Wei,Yin Zhao
Cellulose isolation, a promising way for lignocellulosic biomass utilization, is always restricted by the poor solubility of cellulose. In this paper, tetra-n-methylammonium hydroxide (TMAH) was confirmed to be capable of readily dissolving/regenerating cellulose without chemical modification at room temperature. Meanwhile, cellulose isolation from lignocellulosic biomass by initially dissolving the biomass in TMAH followed by cellulose precipitation was proposed, and the isolated substance with average cellulose purity of 92.1 ± 0.3% could be obtained throughout this process under the optimum conditions: temperature 52 °C, time 60 min, and loading ratio of TMAH/biomass ( w / w ) 7.2:1. Besides, high efficiency cellulose isolation (i.e. >70% cellulose purity) could be continuously remained during 4-round cycles by using the recycled TMAH solvent without distinct activity loss.
研究领域:
生物质化学
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绿色溶剂
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天然高分子
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可持续材料
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生物精炼
✓ 已验证
DOI
高影响因子
BIORESOURCE TECHNOLOGY
·
2016
·
IF 4.917
Yan Shi,Xueying Xia,Jingdan Li,Jing Wang,Tiantian Zhao,Hongmin Yang,Jianchun Jiang,Xiaoxiang Jiang
The solvolysis behavior and reaction kinetics of the three components of biomass (cellulose, hemicelluloses and lignin) liquefied in polyhydric alcohols (PEG 400 or glycerol) were investigated in this paper. Three stages were observed during the solvolysis process and the main degradation stage could be further divided into two zones. The influences of solvents on the liquefaction process of three main components were compared. Based on Starink and Malek methods, kinetic parameters and mechanism functions were obtained. The derived average activation energy of cellulose, hemicellulose and lignin were 108.73, 95.66 and 94.13 kJ mol −1 in PEG 400, while the values were 102.16, 77.43 and 89.10 kJ mol −1 in glycerol, respectively. Higher efficiency was observed when using glycerol as solvent, which could be ascribed to the higher polarity value of glycerol. The conversion curves calculated with obtained mechanism models and kinetic parameters were in good agreement with the experimental data.
研究领域:
生物质化学
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热化学转化
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反应动力学
·
绿色溶剂
·
高分子降解
✓ 已验证
DOI
高影响因子
ACS Sustainable Chemistry & Engineering
·
2013
·
IF 0
Huabin Xing,Xu Zhao,Rulong Li,Qiwei Yang,Baogen Su,Zongbi Bao,Yiwen Yang,Qilong Ren
As green and designable solvents, ionic liquids (ILs), have great potential in the separation of olefins and paraffins. The introduction of functional groups into ILs enhances its separation selectivity for olefin to paraffin; however, the absorption capacities of such functionalized ILs obviously decrease due to the strong polarity of the functional group. In this work, we designed a symmetrical dual nitrile-functionalized IL 1,3-dibutyronitrile-imidazolium bis((trifluoromethyl)sulfonyl)imide ([(CP)2im][NTf2]) and determined the solubility of ethylene and ethane at 303.15 K in three ILs: nonfunctionalized 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([Bmim][NTf2]), single-functionalized 1-butyronitrile-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide ([CPmim][NTf2]), and dual-functionalized [(CP)2im][NTf2]. The experimental results showed that enhanced separation selectivity for ethylene/ethane could be achieved in the symmetrical dual-functionalized [(CP)2im][NTf2] with only a slight reduction of absorption capacity. A COSMO-RS calculation was carried out to understand the underlying dissolution mechanism of ethylene and ethane in ILs and showed that the polarity of the IL and its misfit interaction with gases were the major factors in determining the solubilities of ethylene and ethane in it. In addition, a silver-containing IL was also tested because of its higher absorption capacity for olefins. It was found that the silver-containing IL was superior to any of the common ILs in the separation of ethylene/ethane, particularly [Bmim][NTf2]. A simple equilibrium model was used to describe the absorption of ethylene in the silver-containing IL.
研究领域:
化学工程
·
分离科学
·
绿色溶剂
·
物理化学
✓ 已验证
DOI
危险品化学品经营许可证（带存储）