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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2015 · IF 2.037

Equilibrium Solubility of Sodium 1-Naphthalenesulfonate in Binary NaCl + Water, Na2SO4 + Water, and C2H5OH + Water Solvent Mixtures from (278.15 to 323.15) K

Rongrong Li,Jian Wan,Yingjie Zhang,Danxia Liang,Bin Zhang,Chenghong Li

The equilibrium solubility of sodium 1-naphthalenesulfonate in binary NaCl + water, Na2SO4 + water, and C2H5OH + water solvent mixtures was measured by a steady-state method at elevated temperatures from (278.15 to 323.15) K. The results of these data were correlated by a modified Apelblat equation. The dissolution enthalpy (ΔHd) and entropy (ΔSd) of sodium 1-naphthalenesulfonate in solutions of different mole fraction were obtained.

CAS / MDL: 130-14-3
研究领域: 物理化学 · 热力学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2016 · IF 2.196

Molar enthalpy of mixing and refractive indices of choline chloride-based deep eutectic solvents with water

Chunyan Ma,Yanhua Guo,Dongxue Li,Jianpeng Zong,Xiaoyan Ji,Chang Liu

The molar enthalpies of mixing were measured for binary systems of choline chloride-based deep eutectic solvents (glycerol, ethylene glycol and malonic acid) with water at 298.15   K and 308.15   K, and atmospheric pressure with an isothermal calorimeter. Refractive indices were also measured at 303.15   K and atmospheric pressure. The binary mixtures of {chcl/glycerol (1:2)   +   water, chcl/ethylene glycol (1:2)   +   water} showed exothermic behaviour over the entire range of composition, while the binary mixture of {chcl/malonic acid (1:1)   +   water} showed endothermic behaviour at first and then changed to be exothermic with the increasing content of chcl/malonic acid (1:1). Experimental refractive indices were fitted with the Redlich–Kister equation, and experimental molar enthalpies of mixing were correlated with the Redlich–Kister equation and the non-random two-liquid (NRTL) model. The NRTL model with the fitted parameters was used to predict the vapour pressures of these three mixtures. For mixtures of {chcl/glycerol (1:2)   +   water} and {chcl/ethylene glycol (1:2)   +   water}, the predicted vapour pressures agreed well with the experimental results from the literature. While for mixture of {chcl/malonic acid (1:1)   +   water}, the predicted vapour pressures showed deviation at the high concentration of chcl/malonic acid (1:1), and this was probably because of the complex molecular interaction between chcl/malonic acid (1:1) and water.

CAS / MDL: 7447-40-7
研究领域: 物理化学 · 材料科学
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THERMOCHIMICA ACTA · 2023 · IF 3.5

Density, vapor pressure, enthalpy of vaporization and heat capacity of (E)-isobutyl cinnamate

Ningrui Zhao,Jumei Xu,Zuoxiang Zeng,Weilan Xue

The density of (E)-isobutyl cinnamate at 297.95–535.20 K was measured using a capillary pycnometer and linearly related to temperature. The vapor pressure of (E)-isobutyl cinnamate at 420.15–570.05 K was measured by the ebulliometric method, and correlated by Antoine equation with an average relative deviation of 1.11 %. The vaporization enthalpy Δ vap H (T b ) of (E)-isobutyl cinnamate at normal boiling point was obtained based on the Clausius-Clapeyron equation. The standard vaporization enthalpy Δ vap H (298.15 K) was calculated to be 73.67±0.5 kJ·mol −1 by Othmer's method and verified by the Corresponding State Group Contribution (CSGC) method. The heat capacities at saturation vapor pressure ( C SL ) of (E)-isobutyl cinnamate were measured at 298.15–533.15 K by an automatic calorimeter and correlated by a quadratic polynomial.

研究领域: 物理化学 · 热力学
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ADVANCED MATERIALS · 2023 · IF 29.4

Negative Enthalpy Variation Drives Rapid Recovery in Thermoplastic Elastomer

Haiming Chen,Zaizheng Sun,Kai Lu,Jinming Liu,Chaobin He,Dongsheng Mao

The mechanism behind the resilience of polymeric materials, typically attributed to the well-established entropy elasticity, often ignores the contribution of enthalpy variation (Δ H ), because it is based on the assumption of an ideal chain. However, this model does not fully account for the reduced resilience of thermoplastic polyurethane (TPU) during long-range deformation, which is mainly caused by the dynamics of physical crosslink networks. Such reduction is undesirable for long-range stretchable TPU considering its wide application range. Therefore, a negative Δ H effect is established in this work to facilitate instant recovery in long-range stretchable TPU, achieved by constructing a reversible interim interface via strain-induced phase separation. Consequently, the newly constructed dual soft segmental TPU shows resilience efficiency exceeding 95%, surpassing many synthetic high-performance TPUs with typical efficiencies below 80%, and comparable to biomaterials. Moreover, a remarkable hysteresis loop with a ratio exceeding 50%, makes it a viable candidate for applications such as artificial ligaments or buffer belts. The research also clarifies structural factors influencing resilience, including the symmetry of the dual soft segments and the content of hard segments, offering valuable insights for the design of highly resilient long-range stretchable elastomers.

研究领域: 材料科学 · 高分子化学
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Journal of Materials Chemistry A · 2023 ·Vol. 11 ·期 12 ·6248-6257 · IF 11.9

An integrated cellulose aerogel evaporator with improved thermal management and reduced enthalpy of evaporation using a hierarchical coordinated control strategy

Jiaming Sun,Rui Teng,Jia Tan,Mingcong Xu,Chunhui Ma,Wei Li,Shouxin Liu

Optimizing the structural design of solar-powered evaporators is an effective way to improve evaporation performance, but simplifying their design remains challenging. The balance between continuous water supply and thermal conductivity aggravated by hydrophilicity also needs to be solved. This work details an integrated cellulose aerogel based on a hierarchical coordinated control strategy. The Fe3O4-decorated photothermal conversion layer provides a solar radiation absorbance of 97%, while hollow hydrophobic glass bubbles (GBs) anchored in the insulation layer prevent the intrusion of water and provide the aerogel in wet state with a low thermal conductivity of 0.1008 W m−1 K−1. A hydrophilic polyvinyl alcohol/cellulose skeleton ensures uninterrupted water transport while preventing salt accumulation. The synergistic effect obtained by increasing the depinning force at the contact line from GB-anchored heterogeneous vessel walls, adjusting the water states in the hydrophilic skeleton, and confining bulk water in a porous structure greatly reduces the enthalpy of evaporation to 949 J g−1. The integration of all these functions provides a single-module evaporator with a high evaporation rate of 3.17 kg h−1 m−2. The combination of improved thermal management, reduced enthalpy of vaporization and excellent salt resistance provides an effective water purification system with facile fabrication and low cost of maintenance.

研究领域: 材料科学 · 环境科学
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Science Advances · 2025 ·Vol. 11 ·期 5 · IF 12.5

Single molecule–driven nanomotors reveal the dynamic-disordered chemomechanical transduction of active enzymes

Zhuodong Tang,Jingyu Wu,Shaojun Wu,Wenjing Tang,Jian-Rong Zhang,Wenlei Zhu,Jun-Jie Zhu,Zixuan Chen

Enzymes facilitate the conversion of chemical energy into mechanical work during biochemical reactions, thereby regulating the dynamic metabolic activity of living systems. However, directly observing the energy release facilitated by fluctuating individual enzymes remains a challenge, leading to a contentious debate regarding the underlying reasons for this phenomenon. Here, we aim to overcome this challenge by developing an oscillating nanomotor powered by a single-molecule enzyme, which allows real-time tracking of energy transduction in enzymatic reactions. Through analysis of the shifts in free energy profiles within the nanomotors, our results unveil not only the heterogeneous energy release patterns of individual enzyme molecules but also the dynamic disorder of a particular enzyme in energy release over extended monitoring periods. By exploring six distinct types of single-molecule enzymatic reactions, we provide the direct evidence supporting the argument that the reaction enthalpy governs the enzymatic energy release. This approach has implications for understanding the mechanism of enzymatic catalysis and developing highly efficient nanomotors.

研究领域: 生物化学 · 纳米技术 · 酶学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2013 · IF 2.297

Thermochemical properties of three isotypic polyborate cluster compounds: Na5[MB24O34(OH)12]·nH2O (M = Cr3+, Al3+, Ga3+)

Qing Song,Qiu-Yue Kang,Sa-Ying Li,Qiu-Yan Yu,Zhi-Hong Liu

Three isotypic polyborate cluster compounds for Na 5 [AlB 24 O 34 (OH) 12 ]·5.5H 2 O, Na 5 [CrB 24 O 34 (OH) 12 ]·5H 2 O and Na 5 [GaB 24 O 34 (OH) 12 ]·3H 2 O have been synthesized and characterized by EDS, XRD, FT-IR, TG techniques and chemical analysis. The molar enthalpies of solution of Na 5 [AlB 24 O 34 (OH) 12 ]·5.5H 2 O (s) and Na 5 [CrB 24 O 34 (OH) 12 ]·5H 2 O (s) in 1   mol   ·   dm −3 HCl (aq) were measured to be (58.27   ±   0.15)   kJ   ·   mol −1 and (130.99   ±   0.33)   kJ   ·   mol −1 , respectively. The molar enthalpies of solution of AlCl 3 ·6H 2 O (s) and CrCl 3 ·6H 2 O (s) in (HCl   +   H 3 BO 3   +   NaCl) (aq) were also measured, respectively. With the incorporation of the previously determined enthalpy of solution of H 3 BO 3 (s) in 1   mol   ·   dm −3 HCl (aq), together with the standard molar enthalpies of formation for AlCl 3 ·6H 2 O (s)/CrCl 3 ·6H 2 O (s), NaCl(s), H 3 BO 3 (s), HCl (aq) and H 2 O (l), the standard molar enthalpies of formation of −(21316.0   ±   19.3)   kJ   ·   mol −1 for Na 5 [CrB 24 O 34 (OH) 12 ]·5H 2 O (s) and −(21669.7   ±   19.3)   kJ   ·   mol −1 for Na 5 [AlB 24 O 34 (OH) 12 ]·5.5H 2 O (s) at T   =   298.15   K were obtained on the basis of the appropriate thermochemical cycles. The molar enthalpy of formation of Na 5 [GaB 24 O 34 (OH) 12 )]·3H 2 O was estimated as −20662.9   kJ   ·   mol −1 by using a group contribution method on the basis of these measured results.

研究领域: 无机化学 · 物理化学
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CARBOHYDRATE POLYMERS · 2025 · IF 12.5

Cellulose-derived hydrogel with low vaporization enthalpy enables highly efficient solar steam generation

Junbo Chen,Yuanpeng Xie,Maosong Tian,Jingfu Tian,Zhihao Liang,Haibo Xie,Menglan Lv

Cellulose has drawn much attention in the field of interfacial solar steam generation (ISSG) due to its advantages of renewability, abundant availability, and hydrophilicity. However, the hydroxyl groups of cellulose form weak hydrogen bond interaction with water, resulting in high evaporation enthalpy and thereby low evaporation rate. Herein, carboxylic acid groups possess of strong interaction with water were introduced into cellulose hydrogel to fabricate efficient ISSG. The carboxylated cellulose hydrogels feature excellent hydrophilicity and water supply capacity because of its rich hydroxyl groups, carboxyl groups, and pore structure. More importantly, the carboxyl groups can effectively weaken the hydrogen bond interactions between water molecules, resulting in larger intermediate water contents that reduced water vaporization enthalpy as small as 1198 J g −1 . Consequently, the evaporator shows a remarkable evaporation rate of 3.68 kg m −2  h −1 under one sun irradiation when using bamboo carbon black as the photothermal material. Moreover, the evaporator exhibits superior seawater and sewage purification capabilities, along with outstanding salt resistance. This work presents an advisable strategy of cellulose structure design for interfacial solar evaporation.

研究领域: 材料科学 · 能源科学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2016 · IF 2.196

Interaction between a hydrophobic rigid face and a flexible alkyl tail: Thermodynamics of self-assembling of sodium cholate and SDS

Guangyue Bai,Jianhui Sheng,Yujie Wang,Hui Wu,Yang Zhao,Kelei Zhuo,Margarida Bastos

The thermodynamics of molecular self-assembling of an anionic biosurfactant, sodium cholate (NaCA) and its mixtures with sodium dodecyl sulfate (SDS) in aqueous solution have been investigated by isothermal titration calorimetry (ITC), along with fluorescence and conductivity measurements. Different critical concentrations were obtained by these three techniques – critical pre-micelle concentration (cmc pre ) and critical micelle concentration (cmc) for pure NaCA, and critical micelle concentrations (cmc mix ) for the mixed systems with differently initial SDS concentrations. Importantly, ITC allowed us to directly measure the enthalpy changes of pre-micelle formation (Δ H premic   =   (−0.28   ±   0.02)   kJ·mol −1 ) and of micelle formation (Δ H mic   =   (−1.76   ±   0.05)   kJ·mol −1 ) for pure NaCA as well as the enthalpies for micellization for the mixed systems NaCA/SDS. The non-ideality of the mixed surfactant solution was evaluated in terms of interaction parameters and excess enthalpies that were calculated in the light of Clint’s and Rubingh’s models. It was found that there is an obvious synergistic effect in the NaCA/SDS mixed system. From all these results we can ascribe the strong interaction between the same charge surfactants NaCA and SDS to the structural difference in their hydrophobic moieties. In fact, the flexible alkyl chains of SDS and the non-planar hydrophobic β -faces of NaCA tend to have a more compact packing than pure NaCA.

CAS / MDL: 129-00-0 151-21-3
研究领域: 生物化学 · 物理化学
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JOURNAL OF MOLECULAR LIQUIDS · 2019 · IF 4.561

Solid-liquid phase equilibrium and thermodynamic analysis of griseofulvin in twelve mono-solvents

Shaolei Zhao,Yiming Ma,Junbo Gong,Baohong Hou,Weiwei Tang

The structure and properties of griseofulvin (GSF) were investigated in both solution and solid phases. The intermolecular interactions within griseofulvin crystal structure probed by Hirshfeld surface analysis reveal that the H⋯H and O⋯H contacts apparently dominate in the solid-state structure. The solution thermodynamic properties including solid-liquid phase equilibrium solubility and thermodynamic functions of mixing were determined in twelve solvents (methanol, ethanol, n-propanol, n-butanol, isobutanol , methyl acetate , ethyl acetate , n-propyl acetate, n-butyl acetate, isopropyl acetate, isobutyl acetate and acetonitrile). The equilibrium solubility data was measured by gravimetric method at temperature ranging from 283.15 to 323.15 K, and the measurement results show the solubility is monotonously rising with increasing temperature as expected in all solvents. Besides, the investigations over the effect of solvent properties in terms of solvent polarity, hydrogen bonding donor and acceptor propensity, as well as cohesive energy density on solid-liquid phase equilibrium behaviors reveal that the solvent polarity determines the solubility of griseofulvin in the studied solvent systems. Further, the statistical correlations were well performed by the modified Apelblat equation, λh equation, and NRTL model, in which the modified Apelblat equation receives the best fitting performance. Finally, thermodynamic functions of mixing (enthalpy, entropy, and Gibbs energy) were derived, and the results suggest a spontaneous, exothermic and entropy-driven mixing process. All the thermodynamic data and models presented here will certainly provide fundamental basis for separation and purification of griseofulvin in industrial production.

CAS / MDL: 109-60-4
研究领域: 药学 · 物理化学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Solubilities of 2,5-Furandicarboxylic Acid in Binary Acetic Acid + Water, Methanol + Water, and Ethanol + Water Solvent Mixtures

Heng Ban,Teng Pan,Youwei Cheng,Lijun Wang,Xi Li

The solubilities of 2,5-furandicarboxylic acid (FDCA) in binary acetic acid + water, methanol + water, and ethanol + water solvent mixtures were measured by a static analytical method with the mass fraction of water in the solvent varying from 0 to 0.3 at atmospheric pressure. Furthermore, the molar enthalpy of fusion (ΔfusH = 55.131 kJ/mol) and fusion temperature (Tfus = 614.45 K) of FDCA were determined by differential scanning calorimetry. The non-random two liquid (NRTL) model and the measured parameters were used to correlate these solubility data, and the relevant parameters were regressed by the least-squares method. The NRTL model was found to provide a satisfactory representation of the experimental data.

CAS / MDL: 3238-40-2
研究领域: 化学工程 · 材料科学
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ORGANIC PROCESS RESEARCH & DEVELOPMENT · 2022 · IF 3.858

Flow Toolkit for Measuring Reaction Enthalpy and Application to Highly Exothermic Synthesis of Alkylaluminoxanes

Mengbo Zhang,Yirong Feng,Linjin Lou,Haomiao Zhang,Jingdai Wang,Yongrong Yang

We present a flow strategy to characterize reaction enthalpy and showcase the application in synthesis of alkylaluminoxanes from the fast and exothermic alkylaluminum hydrolysis. Our platform mainly encompasses a three-dimensional printed micromixer and a tubular reactor in an adiabatic vacuum box, aided by a thermal imaging camera to record temperature profiles. The temperature increase at steady state is used to calculate the released heat, which is further decoupled to quantify the reaction enthalpy and enthalpy of mixing. We validate the concept with the classic neutralization reaction between sulfuric acid and sodium hydroxide, with less than 2% deviation from theoretical values. In application, we determine the exothermic reaction enthalpy and the endothermic enthalpy of mixing to be −143.13 and +7.66 kJ/mol for triisobutylaluminum hydrolysis and −164.63 and +5.03 kJ/mol for trimethylaluminum hydrolysis, respectively. The presented platform, on the one hand, yields new insights into the microreactor scale-up for alkylaluminoxane synthesis and, on the other hand, can be readily used to measure reaction enthalpies of other reactions.

研究领域: 化学工程 · 材料科学
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