质子型离子液体N,N-二甲基乙醇胺丙酸盐的密度、粘度及电导率

在283.15-333.15 K温度范围内, 测量了质子型离子液体N,N-二甲基乙醇胺丙酸盐(DMEOAP)的密度、粘度及电导率. 讨论了温度对密度、粘度和电导率等物理化学参数的影响. 通过经验和半经验方程得到了该离子液体的热膨胀系数、分子体积、标准摩尔熵及晶格能等热力学性质参数. 由电导率和密度计算出了该离子液体的摩尔电导率. 利用Vogel-Fulcher-Tamman (VFT)方程, 将测量的动力粘度和电导率对温度拟合, 得到了动力粘度和电导率随温度变化方程式.并通过Walden规则, 建立了粘度与摩尔电导率之间的联系.     

1-丁腈-3-甲基咪唑双三氟甲基磺酸亚胺的性质

制备了功能化离子液体1-丁腈-3-甲基咪唑双三氟甲基磺酸亚胺。在T为283.15-353.15 K温度范围内,测定了该功能化离子液体的密度、动力粘度、电导率及折光率。讨论了亚甲基的增减对该类功能化离子液体的密度、动力粘度、电导率及折光率等性质的影响,并与传统咪唑类、吡啶类离子液体物理化学性质的变化趋势进行了对比。通过经验方程计算了该功能化离子液体的热膨胀系数、分子体积、标准摩尔熵及晶格能等热力学性质参数。讨论了Vogel-Fulcher-Tamman (VFT)方程和Arrhenius方程的适用性,得出VFT方程适用于该功能化离子液体,而Arrhenius方程并不适用。有关研究对新型离子液体的合成及其工业化的应用具有十分重要的意义。     

两种疏水型膦类离子液体的密度、动力粘度及电导率（英文）

通过传统的方法,制备了两种对水和空气稳定的四烷基膦类离子液体。离子液体是:己基三丁基膦四氟化硼和己基三丁基膦双三氟甲基磺酸亚胺。在T=283.15-353.15 K温度范围内,测定了两个离子液体的密度、动力粘度及电导率。讨论了温度、阴离子结构对离子液体的性质的影响。结合文献报道的其它离子液体,讨论了该类离子液体性质随阳离子结构的变化规律,并与咪唑类离子液体的性质进行了比较。通过经验方程,利用密度数据计算了两个离子液体的重要热力学性质参数,例如:分子体积、标准摩尔熵及晶格能等。并将估算性质与传统的咪唑、吡啶类离子液体进行了对比。通过密度和电导率确定了离子液体的摩尔电导率。讨论了Vogel-Fulcher-Tamman(VFT)方程和Arrhenius方程对于粘度和电导率拟合的可行性,并估算了电导活化能及流动活化能。通过Walden规则,描述了密度、粘度及电导率之间的联系。有关研究对新型离子液体的合成及其工业化的应用具有十分重要意义。     

离子液体[Cnpy][NTf2] (n=2, 4, 5)的动力粘度和电导率

在298.15-338.15 K和283.15-338.15 K温度范围内,分别测量了N-烷基吡啶双三氟甲磺酸亚胺(烷基链分别为:乙基、丁基、戊基)三种疏水型离子液体的动力粘度和电导率.利用Arrhenius 方程和Fulcher 方程将测量的动力粘度和电导率对温度拟合,得到了动力粘度和电导率随温度变化方程式.从电导率和密度计算出了上述三种离子液体在283.15-338.15 K温度范围内的摩尔电导率.应用Walden 规则,描述了动力粘度与摩尔电导率之间的关系.     

新型低共熔溶剂的制备、表征及物性研究

以氯化1-丁基-3-甲基咪唑鎓([Bmim]Cl)和二元羧酸为原料,由不同摩尔比混合制备了一类新型低共熔溶剂,采用红外光谱对[Bmim]Cl和二元羧酸之间的作用进行了分析。分别测定了其粘度、电导率、密度、折射率等物理性质,并研究了温度、二元羧酸结构和摩尔比对这些物理性质的影响。结果表明,新型低共熔溶剂的粘度随温度的升高而降低,电导率随温度的升高而增加。温度对两者的影响可以采用VTF方程进行精确地拟合。新型低共熔溶剂的密度随温度的升高而呈线性下降。对新型低共熔溶剂的过量摩尔体积进行计算的结果表明,过量摩尔体积均为正值,二元羧酸对过量摩尔体积的贡献远大于[BMIM]Cl,而结构特性的贡献多于物理作用。折射率和密度随二元羧酸碳数的变化趋势基本相似。     

咪唑离子液体+1,2-丙二醇/1-丙醇二元体系在多温下的物理化学性质和超额性质

本文测定了温度288.15～333.15 K和常压下溴化1-己基/辛基-3-甲基咪唑离子液体([C_6mim]Br/[C_8mim]Br)+1,2-丙二醇/1-丙醇二元体系的密度(ρ)、折光率(nD)和黏度(η),计算获得了超额摩尔体积(V_m~E)和折光率偏差(Δn_D),并用Redlich-Kister方程对衍生性质数据进行拟合.密度、折光率和黏度值随组成的变化用多项式方程进行了拟合,讨论了醇、离子液体以及温度对二元体系物化性质的影响.     

咪唑醋酸盐的制备和物理化学性质及其水和乙醇溶液的电导率

制备了离子液体1-甲基咪唑醋酸盐（[Mim]Ac）,1,3-二甲基咪唑醋酸盐（[Mmim]Ac）和1-乙基-3-甲基咪唑醋酸盐（[Emim]Ac）,分别测定了它们在293.15-338.14 K间的密度、电导率和绝对粘度,计算了相应的摩尔电导率和运动粘度.用最小二乘法分别拟合建立了密度、电导率、摩尔电导率、绝对粘度和运动粘度与温度的函数关系.讨论了咪唑环3位氮原子上烷基链长对以上咪唑醋酸盐五种物理化学性质的影响.在293.15 K测定了[Mim]Ac{或[Mmim]Ac,[Emim]Ac}（1）-H₂O（或EtOH）（2）二元溶液在全浓度范围内的电导导率,计算了对应的咪唑醋酸盐的摩尔电导率.发现无论是水溶液还是乙醇溶液,溶液的电导率和咪唑醋酸盐的摩尔电导率都随着浓度的增加先增大而后减小.同一浓度下,咪唑环3位氮原子上烷基链长增加,相应的溶液电导率和摩尔电导率下降.且水溶液的电导率和摩尔电导率远大于乙醇溶液的.     

烷基磺酸阴离子无卤素离子液体的物理化学性质研究(英文)

通过一步法合成了基于1,3-二烷基咪唑阳离子和甲烷磺酸或对甲苯磺酸阴离子的无卤素离子液体,并对它们的物理化学性质如聚集行为、表面性质、热性质、密度、黏度、折光率和电化学性质等进行了详细研究.结果表明在甲烷磺酸阴离子基离子液体中观察到离子液体中普遍存在的离子簇行为;同等条件下[BEim]MS的荧光光谱强度较[BEim]TS弱;[C12Mim]MS展现出液晶行为;[TS]-基离子液体有着较高的折光率,大于1.51.     

甲基葡萄糖苷硬脂酸酯及其聚氧丙烯醚的合成

以α-甲基葡萄糖苷和硬脂酸甲酯为原料,在碱性催化剂K2CO3和相转移催化剂四丁基氯化铵(TBAC)共同作用下,无溶剂法合成了甲基葡萄糖苷硬脂酸酯(SS),再与环氧丙烷反应,合成了甲基葡萄糖苷硬脂酸酯聚氧丙烯醚(SSP),并对产品进行了IR表征.探讨了相转移催化酯交换反应机理.研究了原料配比、催化剂种类及用量、反应温度、反应时间等因素对SS收率的影响,得到了合成SS的适宜工艺条件:n(甲基葡萄糖苷)∶ n(硬脂酸甲酯)=0.71∶ 1,w(K2CO3)∶ w(硬脂酸酸甲酯)=0.04∶ 1,w(TBAC)∶ w(硬脂酸甲酯)=0.05∶ 1,反应温度145℃,时间4.5h,压力6kPa.上述条件下,SS收率可达92%,产品质量较好.     

四丁基氟化铵在H2O-DMF中的电导研究

测量了298.15~328.15 K温度范围内四丁基氟化铵在20(wt)%~80(wt)%H2O/DMF混合溶液中的电导率,测得的电导率分别通过Kray-Bray方程和Shedlovsky方程分析,推导出了四丁基氟化铵在H2O-DMF混合溶液中的摩尔极限电导、缔合常数和离解常数,并计算出缔合反应的热力学参数(△Ga,△Ha,△Sa);同时探讨了温度和混合溶剂的组成对摩尔极限电导、缔合常数和热力学参数的影响。     

Insight into the structural and transport properties of methyl and benzyl triphenyl phosphonium based deep eutectic solvents using molecular dynamics simulations

Molecular dynamics simulation of twelve phosphonium based DESs based on methyl triphenyl phosphonium bromide and benzyl triphenyl phosphonium chloride as hydrogen bond acceptors (HBA) with glycerol, ethylene glycol, triethylene glycol and trifluoroacetamide as hydrogen bond donors (HBDs) are carried out with the Generalized Amber Force Field between 25 °C and 95 °C at 1 atm pressure. Isobaric-isothermal ensemble is used for predicting the structural properties, namely, radial distribution function and coordination number. Further, time resolved trajectory data is correlated to predict the transport properties such as, self-diffusivity, binary-diffusivity, ionic conductivity and viscosity. The temperature dependence of predicted density is observed with 4.96 × 10⁻² absolute average deviations from experimental dataset. Further, the self-diffusivities are predicted using Einstein's approach and ionic conductivity is calculated from Nernst-Einstein equation as well as Green-Kubo formulation. Further, the viscosity is also predicted using the Green-Kubo formulation. The predicted ionic conductivities and viscosities are fitted in the Vogel-Fulcher-Tammann (VFT) equation to calculate the VFT parameters for the respective DESs.     

The kinetics and mechanism of induced thermal decomposition of peroxomonosulphate by phase transfer catalysts

The kinetics of induced decomposition of potassium peroxomonosulphate (PMS) by the phase transfer catalysts (PTC), viz. tetrabutylammonium chloride [TBAC] and tetrabutylphosphonium chloride [TBPC] have been investigated. The effect of [PMS], [PTC], ionic strength of the medium and temperature on the rate of decomposition of PMS was studied. The rate of decomposition of PMS was monitored under pseudo-first-order condition at a constant temperature (50 ± 0.1 °C). The rate of decomposition was first order with respect to PMS for TBAC and half order for TBPC. The order with respect of PTC was found to be unity for TBAC and half order for TBPC. A suitable kinetic scheme has been proposed to account for the experimental data and its significance is discussed.     

Novel diethanolamine based deep eutectic mixtures for carbon dioxide (CO2) capture: synthesis and characterisation

In this work, diethanolamine was successfully used as a hydrogen bond donor to prepare three different deep eutectic solvents (DESs) using three quaternary ammonium salts at different molar ratios. Important physical properties of the prepared DESs including melting point, glass transition, crystallisation temperature, density, refractive index and viscosity were measured in temperature ranging from (298.15 to 358.15 K). Moreover, in order to explore the changes in chemical structures of the DESs, FTIR analysis was performed. The developed DESs have melting points lower than 293.15 K, and of significantly low density (close to water) and comparable viscosity. The effect of temperature and molar ratio on physical properties were also discussed. Empirical models were used to correlate the density, refractive index and viscosity data of the DESs as a function of temperature and molar ratio. A quantitative analysis, also called as ANOVA analysis, was conducted to investigate the significance of the experimental physical properties data. The new DESs prepared in this work have a potential to be used in numerous applications including CO₂ capture.     

两种疏水型膦类离子液体的密度、动力粘度及电导率

Two air and water stable hydrophobic phosphonium ionic liquids (ILs), tributyl-hexylphosphonium tetrafluoroborate ([P4446][BF4]) and tributyl-hexylphosphonium bis (trifluoromethylsulfonyl) imide ([P4446][NTf2]), were prepared by the traditional method. Their basic physico-chemical properties of density, dynamic viscosity, and electrical conductivity were measured in the temperature range of 283.15-353.15 K. The effect of the temperature and structure of the anion on the thermodynamic properties were discussed. The properties are compared with the cation structures changing of the phosphonium type ILs. The most important thermodynamic properties for their practical application, such as molecular volume, standard molar entropy, and lattice energy, were calculated from their density using empirical equations. The calculated values were compared with those of imdazolium and pyridinium type ILs. Molar electrical conductivity was determined from density and electrical conductivity. The applicability of the Vogel-Fulcher-Tamman (VFT) and Arrhenius equations to the fitting of the dynamic viscosity and electrical conductivity was validated. The activation of the electrical conductivity and dynamic viscosity were obtained from the final VFT equation. According to the Walden rule, the density, dynamic viscosity, and electrical conductivity were described by the Walden equation. The results are very important for academic studies as well as industrial applications of these ILs.     

Thermophysical property characterization of aqueous amino acid salt solutions containing α-aminobutyric acid

In this study, density, electrical conductivity, refractive index and viscosity of aqueous potassium and sodium salt solutions of α-aminobutyric acid were presented. Measurements were done over the temperature range (303.15 to 343.15) K and atmospheric pressure for salt compositions from x₁ = 0.009 to 0.062. A modified Graber et al. equation was used to correlate the density, electrical conductivity, and refractive index with temperature and composition leading to average absolute deviations (AAD) between the predicted and calculated values of 0.04%, 0.7%, and 0.01%, respectively. The viscosity data were represented as a function of temperature and composition via Vogel–Tamman–Fulcher (VTF) type equation at an AAD of 0.6%.     

Densities,refractive indices,and viscosities of N,N-diethylethanol ammonium chloride–glycerol or –ethylene glycol deep eutectic solvents and their aqueous solutions

In this work, we report new experimental data on density, ρ, refractive index, n_D, and viscosity, η, of two deep eutectic solvents, N,N-diethylethanol ammonium chloride–glycerol (DEACG) and N,N-diethylethanol ammonium chloride–ethylene glycol (DEACEG), and their aqueous solutions, over the complete composition range, at temperatures from (298.15 to 343.15) K. Densities and viscosities were measured using the vibrating tube and the falling ball techniques, respectively, while the refractive index at the sodium D line was measured using an automatic refractometer. We aimed to represent the measured properties as a function of temperature and composition, and correlated them using the Redlich–Kister-type equation, for density, a polynomial function, for refractive index, and the Vogel–Fulcher–Tammann (VFT) equation, for viscosity.     

New Simple and Robust Method for Determination of Polarity of Deep Eutectic Solvents (DESs) by Means of Contact Angle Measurement

The paper presents a new method for evaluating the polarity and hydrophobicity of deep eutectic solvents (DESs) based on the measurement of the DES contact angle on glass. DESs consisting of benzoic acid derivatives and quaternary ammonium chlorides–tetrabutylammonium chloride (TBAC) and benzyldimethylhexadecylammonium chloride (16-BAC)—in selected molar ratios were chosen for the study. To investigate the DESs polarity, an optical goniometer and an ET(30) solvatochromic scale based on Reichardt’s dye were used. The research demonstrated the high accuracy and precision of the developed procedure. The simplicity of the examination and the availability of basic equipment allow for the implementation of the developed method in routine investigations of DESs.