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Prediction of Particle Suspension State for Various Particle Shapes Used in Slug Flow Crystallization 段塞流结晶中不同形状颗粒悬浮状态的预测
IF 2.5
ChemEngineering Pub Date : 2023-04-12 DOI: 10.3390/chemengineering7020034
Annette Kufner, Nico Westkämper, Henrik Bettin, K. Wohlgemuth
{"title":"Prediction of Particle Suspension State for Various Particle Shapes Used in Slug Flow Crystallization","authors":"Annette Kufner, Nico Westkämper, Henrik Bettin, K. Wohlgemuth","doi":"10.3390/chemengineering7020034","DOIUrl":"https://doi.org/10.3390/chemengineering7020034","url":null,"abstract":"Particle transport is still an immense challenge in many processes today and affects both the operation and the consistency of the product quality, which is essential in the pharmaceutical industry, for example. Therefore, we developed a suspension correlation of particles in the crystallization process for a slug flow crystallizer in the field of small-scale continuous crystallization in this paper to predict and ensure a reproducible process and consistent product quality. Furthermore, the developed suspension correlation shall provide the possibility to perform mechanistic modeling of the agglomeration behavior depending on the operating parameters in the crystallization process. For this purpose, already existing dimensionless numbers were evaluated and modified employing force balances in order to predict the particle behavior in the liquid compartments in the slug flow crystallizer under different operating conditions and particle shapes of the substance system l-alanine/water using L-glutamic acid as impurity during crystallization.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46274890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Evaluating Electrochemical Properties of Layered NaxMn0.5Co0.5O2 Obtained at Different Calcined Temperatures 评价不同煅烧温度下层状NaxMn0.5Co0.5O2的电化学性能
IF 2.5
ChemEngineering Pub Date : 2023-04-10 DOI: 10.3390/chemengineering7020033
L. Nguyen, V. Nguyen, Doan My Ngoc Nguyen, Minh Kha Le, V. Tran, M. Le
{"title":"Evaluating Electrochemical Properties of Layered NaxMn0.5Co0.5O2 Obtained at Different Calcined Temperatures","authors":"L. Nguyen, V. Nguyen, Doan My Ngoc Nguyen, Minh Kha Le, V. Tran, M. Le","doi":"10.3390/chemengineering7020033","DOIUrl":"https://doi.org/10.3390/chemengineering7020033","url":null,"abstract":"P-type layered oxides recently became promising candidates for Sodium-ion batteries (NIBs) for their high specific capacity and rate capability. This work elucidated the structure and electrochemical performance of the layered cathode material NaxMn0.5Co0.5O2 (NMC) with x~1 calcined at 650, 800 and 900 °C. XRD diffraction indicated that the NMC material possessed a phase transition from P3- to P2-type layered structure with bi-phasic P3/P2 at medium temperature. The sodium storage behavior of different phases was evaluated. The results showed that the increased temperature improved the specific capacity and cycling stability. P2-NMC exhibited the highest initial capacity of 156.9 mAh·g−1 with capacity retention of 76.2% after 100 cycles, which was superior to the initial discharge capacity of only 149.3 mAh·g−1 and severe capacity fading per cycle of P3-NMC, indicating high robust structure stability by applying higher calcination temperature. The less stable structure also contributed to the fast degradation of the P3 phase at high current density. Thus, the high temperature P2 phase was still the best in sodium storage performance. Additionally, the sodium diffusion coefficient was calculated by cyclic voltammetry (CV) and demonstrated that the synergic effect of the two phases facile the sodium ion migration. Hard carbon||P2-NMC delivered a capacity of 80.9 mAh·g−1 and 63.3% capacity retention after 25 cycles.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43647701","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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 a Tetraethoxysilane Hydrolysis Reaction Catalyst on the Precipitation of Hydrolysis Products in the Pores of a Polyimide Track Membrane 四乙氧基硅烷水解反应催化剂对聚酰亚胺轨道膜孔中水解产物沉淀的影响
IF 2.5
ChemEngineering Pub Date : 2023-04-10 DOI: 10.3390/chemengineering7020032
N. Cherkashina, V. Pavlenko, S. Domarev, Nikolay Valeriyevich Kashibadze
{"title":"Effect of a Tetraethoxysilane Hydrolysis Reaction Catalyst on the Precipitation of Hydrolysis Products in the Pores of a Polyimide Track Membrane","authors":"N. Cherkashina, V. Pavlenko, S. Domarev, Nikolay Valeriyevich Kashibadze","doi":"10.3390/chemengineering7020032","DOIUrl":"https://doi.org/10.3390/chemengineering7020032","url":null,"abstract":"This paper presents the results of obtaining a composite film based on polyimide track membranes filled with a silica filler, although the issue of the deposition of this filler in the pores of the given membranes remained unexplored. The filler was obtained by hydrolysis of tetraethoxysilane using an alkaline and acid catalyst. This paper presents the results of the effect of the tetraethoxysilane hydrolysis reaction catalyst on the precipitation of hydrolysis products in the pores of the polyimide track membrane. The factors influencing the formation of silicon oxide nanofibers within the matrix template (polyimide track membrane) are determined. It was found that the use of an acid catalyst provides the highest rates of filling, while when using an alkaline catalyst, the filling is practically not observed, and only single pores are filled. The properties of the composite film obtained were investigated. SEM images of the surface and chip of the composite while using alkaline and acid catalyst are presented. The spatial structure of composite films based on track membranes was investigated by FTIR spectroscopy. The hydrolysis of tetraethoxysilane in an acid medium significantly decreases the optical density index of the membranes and simultaneously increases their light transmission index. The greatest changes are observed in the range of 500–1000 nm, and there are no detectable changes in the range of 340–500 nm. When using an alkaline catalyst, there is not the same significant decrease in the relative optical density index D.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46181190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effective Adsorptive Removal of Coomassie Violet Dye from Aqueous Solutions Using Green Synthesized Zinc Hydroxide Nanoparticles Prepared from Calotropis gigantea Leaf Extract 利用绿色合成氢氧化锌纳米粒子从水溶液中有效吸附考马斯紫染料
IF 2.5
ChemEngineering Pub Date : 2023-04-06 DOI: 10.3390/chemengineering7020031
Vairavel Parimelazhagan, K. Natarajan, Srinath Shanbhag, Sumanth Madivada, Harish S. Kumar
{"title":"Effective Adsorptive Removal of Coomassie Violet Dye from Aqueous Solutions Using Green Synthesized Zinc Hydroxide Nanoparticles Prepared from Calotropis gigantea Leaf Extract","authors":"Vairavel Parimelazhagan, K. Natarajan, Srinath Shanbhag, Sumanth Madivada, Harish S. Kumar","doi":"10.3390/chemengineering7020031","DOIUrl":"https://doi.org/10.3390/chemengineering7020031","url":null,"abstract":"The removal of color from dye wastewater is crucial, since dyes are extremely toxic and can cause cancer in a variety of life forms. Studies must be done to use cost-effective adsorbents for the removal of color from dye effluents to protect the environment. To our knowledge, virtually no research has been done to describe the possibility of using Calotropis gigantea leaf extract zinc hydroxide nanoparticles (CG-Zn(OH)2NPs) as an adsorbent for the decolorization of Coomassie violet (CV) from the aqueous emulsion, either in batch mode or continuously. In the present batch investigation, CV dye is removed from the synthetic aqueous phase using CG-Zn(OH)2NPs as an adsorbent. The synthesized nanoparticles were characterized using various instrumental techniques such as Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDS) and Brunauer–Emmett–Teller (BET) surface area and pore volume, a particle size analyser, and zero-point charge. The decolorization efficacy of CV dye from an aqueous phase by the adsorbent was examined in batch mode by varying process parameters. The consequences of various experimental variables were optimized using response surface methodology (RSM) to achieve the maximum decolorization efficiency (90.74%) and equilibrium dye uptake, qe (35.12 mg g−1). The optimum pH, dye concentration, CG-Zn(OH)2NPs adsorbent dosage, and particle size were found to be 1.8, 225 mg L−1, 5 g L−1, and 78 μm, respectively for CV dye adsorption capacity at equilibrium. The adsorbent zero-point charge was found to be at pH 8.5. The Langmuir isotherm model provided a good representation of the equilibrium data in aqueous solutions, with a maximum monolayer adsorption capability (qmax) of 40.25 mg g−1 at 299 K. The dye adsorption rate follows a pseudo-second-order kinetic model at various dye concentrations, which indicated that the reaction is more chemisorption than physisorption. The negative values of ΔG and positive values of ΔH at different temperatures indicate that the adsorption process is spontaneous and endothermic, respectively. Reusability tests revealed that the prepared nanoparticles may be used for up to three runs, indicating that the novel CG-Zn(OH)2NPs seems to be a very promising adsorbent for the removal of Coomassie violet dye from wastewater.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46450355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Method for Intensive Gas–Liquid Dispersion in a Stirred Tank 搅拌槽中强化气液分散的方法
IF 2.5
ChemEngineering Pub Date : 2023-04-04 DOI: 10.3390/chemengineering7020030
N. Voinov, Alexander S. Frolov, A. Bogatkova, D. Zemtsov, O. Zhukova
{"title":"Method for Intensive Gas–Liquid Dispersion in a Stirred Tank","authors":"N. Voinov, Alexander S. Frolov, A. Bogatkova, D. Zemtsov, O. Zhukova","doi":"10.3390/chemengineering7020030","DOIUrl":"https://doi.org/10.3390/chemengineering7020030","url":null,"abstract":"This article presents the results of hydrodynamics and mass exchange in a stirred tank upon the introduction of gas from an open gas vortex cavity into local liquid regions with reduced pressure. It establishes conditions for the intensive dispersion of gas. Velocity fields and liquid pressure behind the stirrer paddles are determined by numerical simulation in OpenFOAM. The gas content value, gas bubble diameters, and phase surface are determined experimentally. The stirrer power criterion is calculated by taking into account the gas content and power input. The experimental mass transfer data based on the absorption of atmospheric oxygen into water during the dispersion of gas from the open vortex cavity in the local liquid regions behind the rotating stirrer paddles are presented. In this case, the energy dissipation from the rotating stirrer reaches 25 W/kg, with a phase surface of 1000 m−1 and a surface mass transfer coefficient of up to 0.3·10−3 m/s. These parameters are obviously higher than the data obtained in the apparatus for mass exchange through surface vorticity. The advantage of the given method for gas dispersion in a liquid is the functional stability of the apparatus regardless of how deep the stirrer is immersed in the liquid or the temperature or pressure of the gas. Apparatuses based on the intensive gas dispersion method allow for varying the mass transfer coefficient and gas content across a broad range of values. This allows establishing a dependency between the experimentally obtained mass transfer coefficient, energy dissipation, and phase surface values. An equation for calculating the mass transfer coefficient is formulated by taking into account the geometric parameters of the stirrer apparatus based on the stirring power and phase surface values.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45993653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preparation and Spectroscopic Characterization of Ternary Inclusion Complexes of Ascorbyl Palmitate and Urea with γ-Cyclodextrin 抗坏血酸棕榈酸酯与尿素- γ-环糊精三元包合物的制备及光谱表征
IF 2.5
ChemEngineering Pub Date : 2023-03-29 DOI: 10.3390/chemengineering7020029
Y. Inoue, Ayumi Nanri, F. Arce, G. L. See, T. Tanikawa, T. Yokogawa, Masashi Kitamura
{"title":"Preparation and Spectroscopic Characterization of Ternary Inclusion Complexes of Ascorbyl Palmitate and Urea with γ-Cyclodextrin","authors":"Y. Inoue, Ayumi Nanri, F. Arce, G. L. See, T. Tanikawa, T. Yokogawa, Masashi Kitamura","doi":"10.3390/chemengineering7020029","DOIUrl":"https://doi.org/10.3390/chemengineering7020029","url":null,"abstract":"A three-component inclusion complex of ascorbyl palmitate (ASCP), urea (UR), and γ-cyclodextrin (γCD) with a molar ratio of 1/12 has been prepared for the first time using the evaporation method (EVP method) and the grinding and mixing method (GM method). Also, we investigated changes in the physicochemical properties of the three-component complexes. The powder X-ray diffraction (PXRD) measurements showed ASCP, UR, and γCD characteristic peaks in the physical mixture (PM) (AU (ASCP/UR = 1/12)/γCD = 1/2). In GM (AU (ASCP/UR = 1/12)/γCD = 1/1), new diffraction peaks were observed around 2θ = 7.5° and 16.6°, while characteristic peaks derived from EVP (ASCP/UR = 1/12) were observed at 2θ = 23.4° and 24.9°. On the other hand, new diffraction peaks at 2θ = 7.4° and 16.6° were observed in GM (1/2). In the differential scanning calorimeter (DSC) measurement, an endothermic peak at around 83 °C was observed in the GM (1/1) sample, which is thought to originate from the phase transition of urea from the hexagonal to the tetragonal form. An endothermic peak around 113.9 °C was also observed for EVP (ASCP/UR = 1/12). However, no characteristic phase transition-derived peak or EVP (ASCP/UR = 1/12)-derived endothermic peak was observed in GM (1/2). Near infrared (NIR) spectroscopy of GM (1/2) showed no shift in the peak derived from the CH group of ASCP. The peaks derived from the NH group of UR shifted to the high and low wavenumber sides at 5032 cm−1 and 5108 cm−1 in EVP (ASCP/UR = 1/12). The peak derived from the OH group of γCD shifted, and the peak derived from the OH group of ASCP broadened at GM (1/2). These results suggest that AU (ASCP/UR = 1/12)/γCD prepared by the mixed grinding method formed inclusion complexes at the molar ratio (1/2).","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42755646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Production of Anhydrite Binder from Waste Fluorangydrite 用废弃萤石生产硬石膏粘结剂
IF 2.5
ChemEngineering Pub Date : 2023-03-27 DOI: 10.3390/chemengineering7020028
L. Bayatanova, B. Rakhadilov, A. Kengesbekov, M. Kylyshkanov, S. Abdulina, Meruyert Adilkanova, Zhuldyz Sagdoldina
{"title":"Production of Anhydrite Binder from Waste Fluorangydrite","authors":"L. Bayatanova, B. Rakhadilov, A. Kengesbekov, M. Kylyshkanov, S. Abdulina, Meruyert Adilkanova, Zhuldyz Sagdoldina","doi":"10.3390/chemengineering7020028","DOIUrl":"https://doi.org/10.3390/chemengineering7020028","url":null,"abstract":"The technology for obtaining hydrofluoric acid and the peculiarities of its production were studied, and the physical and chemical properties of the waste were examined. Activators that accelerated the hardening of the anhydrite binder were selected. The process of recycling fluorine hydrite waste from the production of hydrofluoric acid at Ulba Metallurgical Plant JSC was studied, and anhydrite unburnt binder with a setting time of 30 min was obtained. On the basis of the obtained data, a technological scheme of anhydrite binder production was developed. The effectiveness of the technological scheme was confirmed experimentally. This work aimed to study the possibility of the integrated use of secondary and anthropogenic raw materials from Ulba Metallurgical Plant, which represents an important means of not only increasing production efficiency and economic benefits and reducing the irrational alienation of land resources, but also protecting against the pollution of water and air basins, as the environmental policy of UMP JSC is nowadays of great importance.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":"234 3","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41290599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Heterogeneous Photodegradation Reaction of Phenol Promoted by TiO2: A Kinetic Study TiO2促进苯酚的非均相光降解反应动力学研究
IF 2.5
ChemEngineering Pub Date : 2023-03-24 DOI: 10.3390/chemengineering7020027
Francesco Broccoli, Rosanna Paparo, M. R. Iesce, M. Di Serio, V. Russo
{"title":"Heterogeneous Photodegradation Reaction of Phenol Promoted by TiO2: A Kinetic Study","authors":"Francesco Broccoli, Rosanna Paparo, M. R. Iesce, M. Di Serio, V. Russo","doi":"10.3390/chemengineering7020027","DOIUrl":"https://doi.org/10.3390/chemengineering7020027","url":null,"abstract":"Phenol is widely used in industry. Due to its high stability and toxicity, it represents a threat to the environment and human health. In this study, a kinetic investigation of phenol heterogeneous photodegradation was conducted using commercial Aeroxide P-25, performing experiments in a wide range of conditions. In detail, a negligible adsorption effect was detected. An activation energy of Ea = 14.3 ± 0.5 kJ mol−1 was measured, and the catalyst loading effect indicated an optimal condition due to the shield of the catalyst particles to the UV irradiation. The catalyst was most active at pH = 7 and it was stable for 25 h of reaction time; thus, it will be worth to investigate its application in flow.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46133962","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
The Performance of Microfiltration Using Hydrophilic and Hydrophobic Membranes for Phenol Extraction from a Water Solution 亲疏水膜微滤萃取水溶液中苯酚的性能研究
IF 2.5
ChemEngineering Pub Date : 2023-03-24 DOI: 10.3390/chemengineering7020026
T. Hussein, N. A. Jasim, A. T. Al-Madhhachi
{"title":"The Performance of Microfiltration Using Hydrophilic and Hydrophobic Membranes for Phenol Extraction from a Water Solution","authors":"T. Hussein, N. A. Jasim, A. T. Al-Madhhachi","doi":"10.3390/chemengineering7020026","DOIUrl":"https://doi.org/10.3390/chemengineering7020026","url":null,"abstract":"Two types of membranes, for hydrophilic and hydrophobic microfiltration, were prepared as flat sheets to treat a phenol-contaminated water solution. The membranes were fabricated using four synthetic polymers: polysulfone, polyethylene oxide, dimethylacetamide, and N-methyl-2-pyrrolidone. Scanning electron microscope measurements of the top-surface and cross-section images of the produced membranes were used to characterize them physically. Distilled water and water contaminated with phenol were used to evaluate the membrane’s performance based on the flux results depending on pressure, the concentration of phenol, and temperature variables. Meanwhile, the rejection performance was evaluated using the phenol-contaminated water solution. The results show that the flux increased with increases in pressure and temperature and decreased with increases in phenol concentration. Distilled water gave far higher results than water contaminated with phenol. The flux of distilled water ranged from 52.18 to 73.15 L/m2/h for the hydrophilic type and from 72.27 to 97.46 L/m2/h for the hydrophobic type, whereas the flux of water contaminated with phenol solution ranged from 26.58 to 61.55 L/m2/h for the hydrophilic type and from 29.98 to 80.55 L/m2/h for the hydrophobic type. Meanwhile, the phenol solution’s rejection was 60% when using a hydrophilic membrane, whereas it was only 45% when a hydrophobic membrane was used. The hydrophobic membrane showed high fluxes and low rejection. Thus, transport through this membrane is closer to having viscous behavior than that through the hydrophilic membrane; in contrast, the permeability through the hydrophilic membrane is less because the pore size decreases the viscous flow mechanism.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44289917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Correlating Pure Component Properties with MOSCED Solubility Parameters: Enthalpy of Vaporization and Vapor Pressure 将纯组分性质与MOSCED溶解度参数相关联:蒸发焓和蒸气压
IF 2.5
ChemEngineering Pub Date : 2023-03-18 DOI: 10.3390/chemengineering7020025
Nick H. Wong, Pratik Dhakal, Sydnee N. Roese, Andrew S. Paluch
{"title":"Correlating Pure Component Properties with MOSCED Solubility Parameters: Enthalpy of Vaporization and Vapor Pressure","authors":"Nick H. Wong, Pratik Dhakal, Sydnee N. Roese, Andrew S. Paluch","doi":"10.3390/chemengineering7020025","DOIUrl":"https://doi.org/10.3390/chemengineering7020025","url":null,"abstract":"Tools to predict vapor–liquid phase equilibria are indispensable for the conceptualization and design of separation processes. Modified separation of cohesive energy density (MOSCED) is a solubility-parameter-based method parameterized to make accurate predictions of the limiting activity coefficient. As a solubility-parameter-based method, MOSCED can not only make quantitative predictions, but can shed light on the underlying intermolecular interactions. In the present study, we demonstrated the ability of MOSCED to correlate the enthalpy of vaporization and vapor pressure at a specific temperature using multiple linear regression. With this addition, MOSCED is able to predict vapor–liquid phase equilibria in the absence of reference data. This was demonstrated for the prediction of the Henry’s constant and solvation free energy of organic solutes in water, which was found to be superior to mod-UNIFAC. In addition to being able to make phase equilibrium predictions, the ability to correlate the enthalpy of vaporization and vapor pressure offers the opportunity to include additional properties in the regression of the MOSCED parameters. Given this success, we additionally attempted to correlate a wide range of physical properties using a similar expression. While, in some cases, the results were reasonable, they were inferior to the correlations of the enthalpy of vaporization and vapor pressure. Future efforts will be needed to improve the correlations.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49070292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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