Journal of Chemical & Engineering Data最新文献_第4页

Investigation on the Molecular Interaction of N-Acetylcysteine in Aqueous Dimethyl Sulfoxide Systems and Thermoacoustic Properties at Various Temperatures n -乙酰半胱氨酸在二甲基亚砜水溶液体系中的分子相互作用及不同温度下的热声性能研究

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-08-07 DOI: 10.1021/acs.jced.4c00656

Mehidi H. Khan, and , Mohammad A. Yousuf*,

{"title":"Investigation on the Molecular Interaction of N-Acetylcysteine in Aqueous Dimethyl Sulfoxide Systems and Thermoacoustic Properties at Various Temperatures","authors":"Mehidi H. Khan,  and , Mohammad A. Yousuf*, ","doi":"10.1021/acs.jced.4c00656","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00656","url":null,"abstract":"The potential molecular interactions among N-acetyl-l-cysteine (NAC), water (H2O), dimethyl sulfoxide (DMSO), and aqueous dimethyl sulfoxide (DMSO-H2O) were investigated from the experimental speed of sound (c) and density values (ρ) over the temperature range from 298.15 to 318.15 K and at atmospheric pressure. The acoustic parameters, viz., isentropic compressibility (κs), apparent molar isentropic compressibility (κs,ϕ), limiting apparent molar isentropic compressibility (κs,ϕ0), Sk, acoustic impedance (Z), hydration number (NH), and relative association (RA), were determined using experimental sound velocities. The results were interpreted in terms of possible solute–solute and solute–solvent interactions. Negative κs,ϕ values identifying molecules of water in the bulk solution seemed to be more compressible than those surrounding the ionic charges of the solute. κs, κs,ϕ0, and Z values indicate the presence of solute–solvent interaction, whereas Sk values specify that solute–solute interaction is also present in the studied system.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 9","pages":"3479–3490"},"PeriodicalIF":2.1,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145036465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of Stirring Paddle Geometry on Nucleation and Growth Crystal Size of Ammonium Sulfate Crystals 搅拌桨形对硫酸铵结晶成核和生长尺寸的影响

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-08-06 DOI: 10.1021/acs.jced.5c00367

Jihao Xiong, Jian Han, Huixin Zhang, Kaili Liu, Xuan Yin, Suzhen Zhang and Jianxin Chen*,

{"title":"Effect of Stirring Paddle Geometry on Nucleation and Growth Crystal Size of Ammonium Sulfate Crystals","authors":"Jihao Xiong, Jian Han, Huixin Zhang, Kaili Liu, Xuan Yin, Suzhen Zhang and Jianxin Chen*, ","doi":"10.1021/acs.jced.5c00367","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00367","url":null,"abstract":"Stirring paddle selection is a critical part of the design and optimization of the crystallization processes, directly influencing crystal nucleation and crystal quality. This work investigates the effect of two different stirring paddles, the propeller and anchor paddle, on the properties of the metastable zone and the nucleation kinetics of ammonium sulfate. The experiments were conducted by determining the metastable zone widths with two different types of stirring paddles and deriving the nucleation kinetics parameters from a dual analytical point of view by using the self-consistent Nývlt equation with the classical 3D nucleation theory. It is found that the nucleation mechanism under the action of both stirring devices is progressive nucleation, and the interfacial energy increases with decreasing saturation temperature. The anchor paddle system exhibits higher nucleation rates at the same chemical potential difference. In addition, crystal products prepared with the propeller were significantly larger in size than the anchor paddle, and crystal growth was more regular. This study provides a theoretical basis for the selection of stirring paddles in the industrial crystallization process.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 9","pages":"3602–3613"},"PeriodicalIF":2.1,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145036392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Measurement and Thermodynamic Analysis of Liquid–Liquid Equilibrium for Ternary Systems of Water, Methacrylic Acid, and n-Alkyl Acetates 水、甲基丙烯酸和正烷基乙酸酯三元体系液-液平衡的测量和热力学分析

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-08-05 DOI: 10.1021/acs.jced.5c00455

Mai Han, Zhenhai Bo, Mingjing Wu, Siying Tan and Meng Zheng*,

引用次数: 0

Influence of Temperature, Anions, and Alkyl Chain Length on the Density, Viscosity, Speed of Sound, Surface Tension, and Refractive Index of Imidazolium Tetrafluoroborate-Based Ionic Liquids 温度、阴离子和烷基链长对四氟硼酸咪唑基离子液体的密度、粘度、声速、表面张力和折射率的影响

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-08-05 DOI: 10.1021/acs.jced.5c00228

Abdullah Aljasmi*, Abubaker A. Mohammad, Adel S. AlJimaz, Khaled H.A. E. Alkhaldi and Mohammad S. AlTuwaim,

{"title":"Influence of Temperature, Anions, and Alkyl Chain Length on the Density, Viscosity, Speed of Sound, Surface Tension, and Refractive Index of Imidazolium Tetrafluoroborate-Based Ionic Liquids","authors":"Abdullah Aljasmi*, Abubaker A. Mohammad, Adel S. AlJimaz, Khaled H.A. E. Alkhaldi and Mohammad S. AlTuwaim, ","doi":"10.1021/acs.jced.5c00228","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00228","url":null,"abstract":"Experimental determinations and analyses were conducted on the densities, refractive indices, viscosities, surface tensions, and speeds of sound of [Cneim][BF4] (n = 1, 3, 4) and [Cnmim][BF4] (n = 3 to 10) at atmospheric pressure and temperatures from 293.15 to 343.15 K. Among all the measured properties, viscosity was most significantly affected by temperature, as all properties decreased with increasing temperature. Density, speed of sound, surface tension, and refractive index were determined through linear correlations with temperature, while the relationship between density and viscosity was modeled by using the Vogel–Fulcher–Tammann (VFT) equation. Experimental density data were used to determine coefficients of thermal expansion, and isentropic compressibility was computed using the Laplace–Newton equation. The impact of the alkyl chain length and anion type on thermophysical properties was also investigated. Results indicate that the properties of ionic liquids are predominantly influenced by anion type, while alkyl chain length has a comparatively lesser effect. Increasing the alkyl chain length decreases the density, speed of sound, and surface tension, whereas the viscosity and refractive index exhibit increasing trends. Furthermore, theoretical models for density, surface tension, and speed of sound are evaluated against the experimentally measured data, providing insight into their predictive accuracy and applicability.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 8","pages":"3148–3164"},"PeriodicalIF":2.1,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144826070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigating Aqueous Two-Phase Systems Constituted by Benzyltributylammonium Chloride-Based Deep Eutectic Solvents for Efficient Extraction of Textile Dyes 基于苄基三丁基氯化铵的深共晶溶剂双水相体系高效萃取纺织染料的研究

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-08-05 DOI: 10.1021/acs.jced.5c00346

Nensi A. Patel, Emmanuel A. Oke and Sushma P. Ijardar*,

{"title":"Investigating Aqueous Two-Phase Systems Constituted by Benzyltributylammonium Chloride-Based Deep Eutectic Solvents for Efficient Extraction of Textile Dyes","authors":"Nensi A. Patel, Emmanuel A. Oke and Sushma P. Ijardar*, ","doi":"10.1021/acs.jced.5c00346","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00346","url":null,"abstract":"Aqueous two-phase systems (ATPS) have been considered as an eco-friendly separation system for the extraction of value-added compounds from an aqueous matrix. Deep eutectic solvents (DESs) have been used as the latest phase - forming component in ATPS. The novel DES-based ATPS composed of DESs and with K3PO4, K2HPO4, and K2CO3 were investigated at 298.15 K and atmospheric pressure. DESs were synthesized using benzyltributylammonium chloride (BTBAC) with methanol, ethanol, propanol, and polyethylene glycol (PEG) of average molar mass: 200, 400, and 600 in a 1:3 molar ratio. The ability of the studied salt to induce phase separation follows the order: K3PO4 > K2HPO4 ≈ K2CO3. The investigated ATPS were evaluated as an extraction platform for malachite green (MG), indigo blue (IB), and Sudan III (SIII) from aqueous solutions. The highest partition coefficients (Kdyes) 211.01, 716.91, and 1350.35 were observed for MG, IB, and SIII, respectively, using BTBAC:PEG 600 and K3PO4 ATPS. The highest extraction efficiencies (EEdye %) around 100% were reported for all studied dyes by the same ATPS. The extraction capacity of studied ATPS depends upon log Kow values and functional groups present in the dye structure. The obtained results highlight the potential use of DES-ATPS in the purification of dye containing wastewater.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 8","pages":"3364–3377"},"PeriodicalIF":2.1,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144826174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Thermodynamic and Compressibility Studies of Naphazoline Hydrochloride in Aqueous and Aqueous l-Valine Solutions: Insights into Molecular Interactions and Solvation Behavior 盐酸萘唑啉在水溶液和l-缬氨酸水溶液中的热力学和可压缩性研究：分子相互作用和溶剂化行为的见解

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-08-05 DOI: 10.1021/acs.jced.5c00200

Vandana S. Shende, Mahesh B, Vandana Patel, Ratiram G. Chaudhary and Sangesh P. Zodape*,

{"title":"Thermodynamic and Compressibility Studies of Naphazoline Hydrochloride in Aqueous and Aqueous l-Valine Solutions: Insights into Molecular Interactions and Solvation Behavior","authors":"Vandana S. Shende, Mahesh B, Vandana Patel, Ratiram G. Chaudhary and Sangesh P. Zodape*, ","doi":"10.1021/acs.jced.5c00200","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00200","url":null,"abstract":"The molecular interactions and solvation behavior of naphazoline hydrochloride (NPH) in aqueous, 0.025 mol·kg–1 aqueous l-valine, and 0.05 mol·kg–1 aqueous l-valine solutions were investigated using density and speed of sound measurements within a concentration range of 0.02–0.15 mol·kg–1 at different temperatures (T = 288.15, 293.15, 298.15, 303.15, 308.15, 313.15, and 318.15 K) and atmospheric pressure. The derived parameters, namely, the apparent molar volume of the solute, apparent molar compressibility of the solute, isentropic compressibility of the solution, limiting apparent molar volume of the solute, limiting apparent molar compressibility of the solute, thermal expansion coefficient of the solute, apparent molar expansivity of the solute at infinite dilution, and transfer properties of the solute were calculated by using density and speed of sound data. These parameters provide insights into solute–solute and solute–solvent interactions. The results indicated strong hydrogen bonding and ion–dipole interactions between NPH and water, while the presence of l-valine modulated these interactions by altering the hydration shell and compressibility of the systems. The observed derived parameter trends suggested enhanced structuring effects in aqueous solutions, which were further influenced by the zwitterionic nature of l-valine. To further understand these interactions, UV–visible spectroscopic analysis was conducted. These findings provide valuable insights into the physicochemical properties of NPH in biologically relevant environments, with potential implications for drug formulation, stability, and bioavailability in pharmaceutical applications.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 8","pages":"3123–3139"},"PeriodicalIF":2.1,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144826173","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Thermodynamic Properties, Excess Properties, Structural Studies, and Hydrogen Bonding Interaction of Methyldiethanolamine + 1,2-Propylenediamine Mixtures 甲基二乙醇胺+ 1,2-丙二胺混合物的热力学性质、过量性质、结构研究和氢键相互作用

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-08-04 DOI: 10.1021/acs.jced.5c00287

Zhengtong Zhu, Yifan Yang, Enna Wang, Rongrong Li, Zhongmin Lang, Kai Ma*, Gangqiang Wu* and Jianbin Zhang*,

{"title":"Thermodynamic Properties, Excess Properties, Structural Studies, and Hydrogen Bonding Interaction of Methyldiethanolamine + 1,2-Propylenediamine Mixtures","authors":"Zhengtong Zhu, Yifan Yang, Enna Wang, Rongrong Li, Zhongmin Lang, Kai Ma*, Gangqiang Wu* and Jianbin Zhang*, ","doi":"10.1021/acs.jced.5c00287","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00287","url":null,"abstract":"Density (ρ) and viscosity (η) of 1,2-propylenediamine (PDA) and N-methyldiethanolamine (MDEA) mixtures with various mole ratios were measured at 298.15–318.15 K under atmospheric pressure. Excess and thermodynamic properties were calculated based on ρ and η. The correlations among ρ, η, and mole fractions were evaluated using the Jouyban–Acree and McAllister models. The temperature-dependent behavior of the ρ and η values was modeled by applying the Arrhenius equation and the least-squares method. Moreover, the Gibbs free energy (ΔG*E), viscosity deviation (Δη), and excess molar volumes (VmE) of the mixtures were fitted using the NRTL model, the Wilson model, and the Redlich–Kister (R–K) equation. Computational chemistry analyzed hydrogen bonding interactions between PDA and MDEA. Furthermore, the molecular structure of the mixtures was analyzed through Fourier-Transform Infrared (FTIR), and the intermolecular interaction structures of MDEA and PDA were investigated by Raman and nuclear magnetic resonance (NMR) hydrogen spectroscopy, thereby determining the physical anchoring effect of MDEA on PDA molecules. The discussion of the results identifies that the structure of hydrogen bonds is −O–H···NH2-. The CO2 absorption capacity of the MDEA + PDA mixture reached 10.11 mmol/gPDA at a 1:1 molar ratio, a 45.7% increase compared with pure PDA.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 8","pages":"3200–3215"},"PeriodicalIF":2.1,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144826137","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Application of a Cubic Equation of State and Eyring Theory in Modeling New Experimental Data of Ethyl Heptanoate + 1-Alkanol Mixtures 三次状态方程和环理论在模拟庚烷酸乙酯+ 1-烷醇混合物新实验数据中的应用

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-08-04 DOI: 10.1021/acs.jced.5c00363

Mohammad Almasi, and , Ariel Hernández*,

引用次数: 0

Thermodynamic, Ultrasonic, and Transport Study of Binary Mixtures Containing 1-Hexene and Alcohols at 293.15–303.15 K 293.15-303.15 K下含1-己烯和醇二元混合物的热力学、超声和输运研究

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-08-01 DOI: 10.1021/acs.jced.5c00043

Kheireddine Nadhir Abdellaoui, Aouicha Belabbaci, Amal Ayad, Amina Negadi, Ariel Hernández, Mohd Aslam, Prashant Singh, Indra Bahadur* and Latifa Negadi*,

{"title":"Thermodynamic, Ultrasonic, and Transport Study of Binary Mixtures Containing 1-Hexene and Alcohols at 293.15–303.15 K","authors":"Kheireddine Nadhir Abdellaoui, Aouicha Belabbaci, Amal Ayad, Amina Negadi, Ariel Hernández, Mohd Aslam, Prashant Singh, Indra Bahadur* and Latifa Negadi*, ","doi":"10.1021/acs.jced.5c00043","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00043","url":null,"abstract":"In this paper, densities, speeds of sound, and refractive indices of binary mixtures 1-hexene with methanol, 1-propanol, or 1-pentanol were measured in the temperature range from 293.15 K to 303.15 K, over the whole composition range and atmospheric pressure. Experimental values were used to calculate the isentropic compressibility (κs), intermolecular free length (Lf), specific acoustic impedance (z), relative association (RA), relaxation strength (r), and Rao’s molar sound function (R). From this data, excess/deviation properties of all studied mixtures were calculated and correlated as a function of temperature using the Redlich–Kister polynomial equation. The density of binary mixtures of 1-hexene with alcohols was predicted by using the Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state. Schaaff’s Collision Factor Theory (SCFT) and Nomoto’s Relation (NR) were also applied to model the experimental speed of sound data for these mixtures. Moreover, the refractive index experimental data were analyzed by using widely recognized mixing rules from the literature. Density functional theory (DFT) calculations were conducted to complement the experimental study by analyzing the molecular-level electronic properties of the binary mixtures. Key descriptors such as HOMO–LUMO energy gaps, chemical hardness, and electrophilicity indices provided insights into the reactivity and stability of 1-hexene and alcohol mixtures across the studied temperature range.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 8","pages":"2961–2984"},"PeriodicalIF":2.1,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.5c00043","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144826147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Entropy Scaling of Viscosity for Imidazolium Ionic Liquids with Dissolved Refrigerants Based on the Soft-SAFT Equation of State 基于软saft状态方程的溶解制冷剂咪唑类离子液体粘度熵标度研究

IF 2.1 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-07-31 DOI: 10.1021/acs.jced.5c00304

Zhiyu Yan, Yiran Wang, Xiangyang Liu* and Maogang He,

引用次数: 0