Article
Thermodynamics
Alessandro Robbiano, Antonio Tripodi, Francesco Conte, Gianguido Ramis, Ilenia Rossetti
Summary: A multi-level program for regressing thermodynamic parameters was tested on three case studies, and the results showed that the unmodified UNIQUAC equation slightly outperforms the NRTL model for the given systems. The consistency check of the excess energy function acts as a bottleneck, and the use of different phases optimizer has a great impact on the overall performance.
FLUID PHASE EQUILIBRIA
(2023)
Article
Chemistry, Multidisciplinary
Shashank G. Gaikwad, Abhishek A. Pathak, Dhananjay R. Mote, Parag R. Gogate, Shivani Singh, Bharat Modhera
Summary: Liquid-liquid equilibrium (LLE) data for the ternary system, Aniline + Toluene + Water, was measured at different temperatures using HPLC analysis and Karl-Fischer technique. The efficiency of Toluene to extract Aniline from the aqueous phase was quantified based on tie line data, showing a high separation ability. The experimental data was verified through equations and correlated using NRTL and UNIQUAC models, accurately representing the system's behavior. Toluene has been demonstrated to be a highly efficient extractant for Aniline in the hydrogenation process of nitrobenzene, a commercially used industry process for p-Aminophenol production.
SEPARATION SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Won-Wook Seo, Joon-Hyuk Yim, Jong Sung Lim, Kyu Yong Choi
Summary: This study investigates the extraction effects of 1-nonanol and 1-decanol on acetic acid and water mixture, and it is found that 1-nonanol exhibits better extraction capability. The experimental data is successfully correlated using the NRTL and UNIQUAC models, indicating their adequacy for these systems.
KOREAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Engineering, Chemical
Yanmin Qin, Xiaopeng Chen, Linlin Wang, Xiaojie Wei, Hairong Mo, Xuejuan Wei, Jiezhen Liang
Summary: This study determined the vapor-liquid equilibrium data of the systems of p-cymene and (-)-beta-caryophyllene, as well as p-cymene, (-)-beta-caryophyllene, and dehydroabietic acid. The results showed that the addition of dehydroabietic acid significantly affected the separation of p-cymene and (-)-beta-caryophyllene. The NRTL model was found to be the most suitable for predicting the behavior of the system based on the experimental data.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2022)
Article
Chemistry, Physical
Qingsong Li, Hongyue Guo, Song Lin, Yicong Zhao, Hui Li
Summary: The study evaluated the ability to extract DEM from water using liquid-liquid equilibrium data, distribution coefficient, and separation coefficient, demonstrating the accuracy and relevance of the models used.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Rizky Tetrisyanda, Salal Hasan Khudaida, Hao-Yeh Lee, Ming -Jer Lee
Summary: The study found that systems containing ethyl levulinate exhibit type-I liquid-liquid equilibrium, while the system of water + n-butanol + n-butyl levulinate behaves as type-II liquid-liquid equilibrium. Interestingly, the areas of the two-liquid-phase region exhibit different changes with increasing temperature under the experimental conditions.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Chemistry, Physical
Weizhong Gong, Pan Li, Sohrab Rohani
Summary: This study investigates the solubility of taurine in different binary aqueous solvents, revealing that the dissolution of taurine is an endothermic process influenced by the type of solvent.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Denis Usosky, Vladyslav Aharkov, Kyung Rok Lee, Kwang-Deog Jung, Ung Lee
Summary: In this study, a thorough investigation of the 1-methylpyrrolidine + 1-butylimidazole binary system was conducted to lay the foundation for process design. The isobaric binary vapor-liquid equilibrium (VLE) data was obtained at different pressures using dynamic equilibrium cell (VLE 602) and it was found that there was no azeotrope throughout the entire operating pressure range. By measuring the equilibrium temperature at different pressures, the vapor pressure of 1-butylimidazole was determined and the Antoine equation parameters were regressed. The VLE data was regressed using the ML method and the BIP values were estimated for different models. Model validation showed good consistency between calculated and experimental values.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Majid Mohadesi, Babak Aghel, Ashkan Gouran
Summary: The study focused on liquid-liquid extraction of the n-hexane + benzene + sulfolane system in a micro extractor, with operational variables including temperature and solvent to feed ratio. Results showed that these variables significantly impacted distribution coefficient and selectivity, reaching their peak levels at specific temperatures and in low solvent to feed ratios. NRTL and UNIQUAC models were used to assess the extraction results, confirming their high accuracy.
IRANIAN JOURNAL OF CHEMISTRY & CHEMICAL ENGINEERING-INTERNATIONAL ENGLISH EDITION
(2021)
Article
Thermodynamics
Hongyue Guo, Yicong Zhao, Yufan Pang, Jun Li, Qingsong Li
Summary: The liquid-liquid equilibrium data of water, cyclohexanone, and ethyl acetate at different temperatures were studied, evaluating the extraction ability of ethyl acetate and comparing it with mesityl oxide for selectively extracting cyclohexanone. The NRTL and UNIQUAC models were successfully associated with the LLE data with good consistency of the regression parameters verified by GUI-MATLAB tools.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Thermodynamics
Hongyue Guo, Hui Li, Wei Wang, Bing Li, Qingsong Li
Summary: The liquid-liquid equilibrium data of the ternary mixture of water, cyclohexanone, and mesityl oxide at different temperatures and pressures were presented. The distribution coefficient and separation factor were used to assess the efficiency of extracting cyclohexanone from water. The NRTL and UNIQUAC models successfully correlated the experimental data with good reliability.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Thermodynamics
Giselle A. L. Souza, Luciana Y. A. Silva, Patricia F. M. Martinez
Summary: DES, like ChCl:G(1:2.000), can serve as potential entrainers for extractive distillation to obtain anhydrous ethanol. Experimental results indicate that ChCl:G(1:2.000) can increase the relative volatility of ethanol-water, suggesting its potential use in the production of anhydrous ethanol through extractive distillation.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Chemistry, Physical
Fadhila Rabhi, Thomas Di Pietro, Fabrice Mutelet, Hocine Sifaoui
Summary: This study focused on the extraction of three organic compounds from aqueous solutions using an ionic liquid. The liquid-liquid equilibrium was measured and predicted, and the experimental data showed that the ionic liquid is suitable for the extraction of organic compounds. This research has significant implications for the application of ionic liquids in organic chemistry.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Thermodynamics
Guangyuan Chen, Yunhai Shi, Rongchun Shen, Wei Li, Jinghong Zhou
Summary: The study utilized 5-methyl-2-hexanone as the extraction agent for separating the azeotrope of ethylene glycol and 1,2-butanediol, and calculated the relevant coefficients from experimental data. The results indicated that using 5-methyl-2-hexanone was more effective, with the experimental data closely matching the calculated values.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
Article
Thermodynamics
Mai Han, Song Lin, Mingyi Xu, Yueyang Jiang, Qingqing Yin, Yufan Pang, Yujian Song, Qingsong Li
Summary: This study obtained the liquid-liquid equilibrium data of tetrahydrofurfuryl alcohol (THFA) in aqueous solution using two solvents. The results showed that both solvents are excellent for extracting THFA.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
Article
Green & Sustainable Science & Technology
Hongru Zhang, Qing Zhao, Mengjin Zhou, Peizhe Cui, Yinglong Wang, Shiqing Zheng, Zhaoyou Zhu, Jun Gao
Summary: The separation performance and economic cost of single extractive distillation and an extractive distillation coupled pervaporation process for ternary azeotropic systems with different feed compositions were studied. It was found that the cost of the processes increases significantly with increasing water content in the feed composition.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Engineering, Chemical
Juan A. Labarta, Maria M. Olaya, Antonio F. Marcilla
Summary: This study analyzes the characteristics of the nonrandom two-liquids model (NRTL) and investigates its relation with binary interaction parameters and phase equilibria. Empirical equations are established to simulate the trajectories of different miscibility boundaries.
Article
Engineering, Chemical
Yasen Dai, Xiangyu Zhou, Xiaojun Chu, Chen Li, Zihao Su, Zhaoyou Zhu, Peizhe Cui, Jianguang Qi, Yinglong Wang
Summary: This study investigates the effects of different entrainers on the separation process of ternary mixtures in extractive distillation. The results show that the selection of entrainers should not solely rely on relative volatility and should consider thermodynamic properties and possible thermal integration schemes. The study provides insights for the screening of entrainers and process design in extractive distillation processes.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Green & Sustainable Science & Technology
Yuyang Jiao, Kexin Yin, Tianxiong Liu, Fanqing Meng, Xin Li, Limei Zhong, Zhaoyou Zhu, Peizhe Cui, Yinglong Wang
Summary: This study designed reactive extractive distillation process and reactive extractive dividing-wall process to achieve high-quality production and separation of ethyl tert-butyl ether. Ethylene glycol was selected as the extractant based on solvent volatility analysis, molecular dynamics simulation, and quantum chemical calculations. Optimal process parameters were obtained through optimization based on total annual cost. Compared to the common process, the reactive extractive dividing-wall process showed economic advantages and environmental benefits.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Green & Sustainable Science & Technology
Yanan Li, Qing Zhao, Tianxiong Liu, Kexin Yin, Yasen Dai, Zhaoyou Zhu, Peizhe Cui, Yinglong Wang, Limei Zhong
Summary: This study proposes a method to recover high-purity ethanol and isopropanol from industrial wastewater using extractive distillation. Three enhanced energy-saving processes were developed to reduce the economic costs and environmental impact. The thermally coupled extractive distillation process showed the lowest total annual cost and the highest heat recovery rate, with the lowest energy consumption and environmental impact. This work is of great importance for the efficient recovery of low-carbon alcohols from industrial wastewater and promoting cleaner production in the chemical industry.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Green & Sustainable Science & Technology
Yixin Ma, Huaqing Qi, Jifu Zhang, Peizhe Cui, Zhaoyou Zhu, Yinglong Wang
Summary: In light of the escalating number of end-of-life tires and their environmental impact, this study proposes a disposal process that utilizes plasma gasification to convert these tires into syngas and generate hydrogen. Comparing the effects of oxygen and air versus steam and air on hydrogen production, it was found that using steam and air as the gasification agent yielded a carbon conversion rate, energy recovery rate, and exergy efficiency of 99.12%, 93.67%, and 80.04% respectively. Moreover, a suitable carbon capture process was explored, with results showing that the monoethanolamine absorption process outperformed Rectisol in terms of CO2 capture rate. However, the monoethanolamine absorption process had a lower exergy efficiency of 40.04% compared to Rectisol. The most efficient process for hydrogen production from end-of-life tires by plasma gasification involved steam and air as the gasification agent and integrated Rectisol for carbon capture, with a total exergy efficiency of 36.45%. This study provides theoretical support for end-of-life tire management and pollution reduction.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Green & Sustainable Science & Technology
Zaifeng Xu, Yaru Zhou, Kexin Yin, Jifu Zhang, Zhaoyou Zhu, Yinglong Wang, Peizhe Cui
Summary: This study investigated two food waste treatment processes, plasma gasification hydrogen production and plasma gasification coupled with chemical looping, for converting food waste into high-quality hydrogen energy. The exergy, economic, and environmental benefits of the hydrogen production system were analyzed using Aspen Plus software simulation. Plasma gasification technology exhibits a high production capacity and economic input, while plasma gasification coupled with chemical looping can alleviate electricity consumption and is more environmentally friendly. The proposed novel process promotes food waste resource treatment and energy reuse.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Chemistry, Multidisciplinary
Peizhe Cui, Yaru Zhou, Tingting Song, Zaifeng Xu, Jifu Zhang, Yangyang Liu, Yinglong Wang, HuaQing Qi, Lei Han, Sheng Yang
Summary: This study proposes a low-carbon ammonia synthesis process based on the cold energy utilization of liquified natural gas regasification to reduce the high energy consumption of ammonia synthesis. The process uses the cold energy released from liquified natural gas regasification as the refrigeration source for the air separation unit and carbon capture and storage unit, improving the comprehensive energy utilization efficiency. The total efficiency of the process is 42.69%, with an ammonia production capacity of 35.07 t/h. The proposed process effectively solves the high energy consumption in ammonia synthesis and provides a valuable production route for low-carbon ammonia synthesis.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Engineering, Chemical
Chao Sun, Jiafu Xing, Yajuan Qu, Yanli Zhang, Peizhe Cui, Yinglong Wang, Jun Gao
Summary: Deep eutectic solvents (DESs) were used to separate the azeotropes of dimethyl carbonate (DMC) and isopropyl alcohol (IPA). Liquid-liquid equilibrium (LLE) data was crucial in designing the separation process, and three appropriate DESs (ChCl-Urea, ChCl-Gly, ChCl-EG) were selected. LLE data of DMC-IPA-(ChCl-Urea), DMC-IPA-(ChCl-EG), and DMC-IPA-(ChCl-Gly) were obtained through experiments, and the binary interaction parameters were determined using the NRTL model. The extraction mechanism of the DESs and the formation mechanism of the combined structures (DES-IPA/DMC) were explored through ESP and AIM analysis.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Green & Sustainable Science & Technology
Jifu Zhang, Haiyang Cheng, Zaifeng Xu, Yaru Zhou, Kexin Yin, Xianlong Wang, Ying Gao, Chaoyue Sun, Yinglong Wang, Peizhe Cui
Summary: The amount of food waste generated annually has increased due to rapid urbanization, posing serious threats to the environment and human health. A novel combined cooling, heating, power, and dehumidification system based on food waste plasma gasification (PG) is proposed to address this issue. The system demonstrates high electrical, thermal, and exergy efficiencies, as well as effective removal of moisture, humidity, and CO2 from the food waste. It provides a new method for efficient utilization of food waste.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Chemistry, Multidisciplinary
Yinglong Wang, Tianxiong Liu, Zihao Dong, Wenguang Zhu, Yusen Chen, Mengjin Zhou, Peizhe Cui, Zhaoyou Zhu
Summary: This study establishes a quantitative structure-property relationship (QSPR) model of ionic liquids (ILs) using molecular descriptors (MD), molecular identifiers (MI), and their combinations. The QSPR model, built by coupling deep neural network (DNN) and random forest (RF), shows the best performance when using MI to represent ILs and DNN. The Shapley additive explanation (SHAP) method is applied to analyze features and obtain valuable molecular structure information for prediction. Different MD and MI contribute differently in the prediction of H2S solubility and can correctly identify the impact of environmental factors (temperature and pressure). Additionally, the influence of different carbon chain lengths on the solubility of H2S is studied by calculating the electrostatic potential (ESP) between H2S and ILs.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Engineering, Chemical
Tianxiong Liu, Dingchao Fan, Yusen Chen, Yasen Dai, Yuyang Jiao, Peizhe Cui, Yinglong Wang, Zhaoyou Zhu
Summary: In this study, a novel molecular structure encoding method was developed, and a convolutional autoencoder was used for denoising based on the structure of ionic liquids (ILs). Combined with three different machine learning algorithms (multilayer perceptron [MLP], random forest [RF], and support vector machine [SVM]), it showed better prediction performance for CO2 solubility in ILs than conventional cheminformatics descriptors. The SE-MLP model achieved the best performance with an R-2 value of 0.9873 and a mean square error of 0.0007.
Article
Thermodynamics
Peizhe Cui, Jifu Zhang, Yangyang Liu, Yaru Zhou, Zhaoyou Zhu, Jun Gao, Yinglong Wang
Summary: Clean-energy vehicles, such as hydrogen fuel cell vehicles and natural gas vehicles, contribute to reducing greenhouse gas emissions and environmental pollution. A life cycle assessment was conducted to compare the environmental performance of hydrogen FCV and NGV under different fuel production methods. The study found that hydrogen FCV had better environmental performance, especially when produced using wind-power-assisted electrolysis. The study also evaluated the environmental impact of the manufacturing process and provided insights for the sustainable development of these vehicles.
Article
Green & Sustainable Science & Technology
Haiyang Cheng, Jianhui Zhong, Yasen Dai, Yuyang Jiao, Zhaoyou Zhu, Peizhe Cui, Jianguang Qi, Yinglong Wang
Summary: This study developed a highly efficient separation of ethyl acetate/ethanol/water azeotrope using extractive distillation with a mixed solvent. The optimal process scheme was obtained through multi-objective optimization, considering both economy and environment. The results showed that the heat pump-assisted extractive distillation process had significant advantages in terms of gas emission reduction and energy consumption. This study is of great significance for the separation of high purity ethyl acetate and the recovery of wastewater.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Chemistry, Multidisciplinary
Qinggang Xu, Jiafu Xing, Yuyang Jiao, Zihao Su, Yanli Zhang, Peizhe Cui, Jianguang Qi, Zhaoyou Zhu, Yinglong Wang, Yixin Ma
Summary: We proposed a heuristic predictive model based on TAC and LCA indexes to qualitatively screen the optimal entrainer for the extractive distillation process. It considers various factors such as relative volatility, tray number, hot steam consumption, green sustainability, and toxicity. The model can efficiently separate multi-component azeotropes and provides reference significance for the screening and application of deep eutectic solvents, ionic liquids, and their mixed solvents.
Article
Thermodynamics
Haolei Yang, Xiaoqiang Bian, Lianguo Wang
Summary: A new association model, CPA-MHV1, combining the SRK equation of state with the CPA equation based on Michelsen's improved Huron-Vidal mixing rule, is developed. The model is used to investigate the vapor-liquid equilibrium of binary mixtures involving CH4, CO2, and H2O, as well as ternary mixtures containing NaCl. The results show that considering the solvation between CO2 and H2O yields the best performance, while CH4 with a pseudo-association scheme has the highest comprehensive prediction performance.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Vikas K. Sinha, Atanu K. Metya, Chandan K. Das
Summary: In this study, the solid-liquid coexistence curve for water was developed using coarse-grained mW and machine-learned ML-BOP water models. The ML-BOP model exhibited lower densities, a broader density-temperature hysteresis loop, and higher free energy compared to the mW model. The pressure dependence fusion curve for both models aligned with previous literature. This analysis demonstrates that the free energy method accurately captures the solid-liquid transformation and the thermodynamic melting point of water.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Curtis Hays Whitson
Summary: This article tells the story of an extraordinary individual who made numerous and valued contributions, portrayed through a few images and short stories.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Joe Hajjar, Sabine Enders
Summary: A generalized theoretical framework is introduced for multicomponent reactive nonuniform systems, combining the modified and generalized Cahn-Hilliard equation with a chemical kinetics model. The framework allows for the modelling and investigation of the combined reaction and diffusion in reactive liquid-liquid systems. It is found that for reacting mixtures with much smaller reaction rates than diffusion rates, the mixture will remain in phase equilibrium upon reaction and the interfacial chemical reaction will not affect the overall system dynamics, which are only influenced by the kinetics of the bulk phases.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Keycianne da Cruz Silva, Leticia Daniela de Souza, Vinicius Azevedo Gomes, Leandro Rodrigues de Lemos
Summary: Phase diagrams of four aqueous two-phase systems were determined experimentally, and conclusions were drawn regarding the effect of temperature on system enthalpy change and the influence of macromolecules on phase separation.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Yuanqing Wu, Shuyu Sun
Summary: The sparse-grid guided PINN training method improves the accuracy of the PINN surrogate model by rearranging collocation points and reduces the training time complexity. Experimental results demonstrate its clear advantages in terms of convergence, stability, and accuracy.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Peter Englezos
Summary: This article discusses the research progress and challenges in the field of canonical clathrate or gas hydrate phase equilibria, as well as the application of computational methods and models. It also explores the potential of machine learning techniques in hydrate and thermodynamic calculations.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Ying-Chieh Hung, Shao-Wei Su, Jia-Wei Yan, Gui-Bing Hong
Summary: In this study, VLE data for five binary systems were measured and successfully correlated using models. The predictive models were used to predict the binary VLE phase diagram and explain the mechanism of separation efficiency. The strength of electrostatic interactions and temperature-dependent separation behavior were determined through the analysis of molecular surface charge distribution.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Matevz Turk, Tomaz Urbic
Summary: By molecular dynamics and Monte Carlo simulations, this study determined the regions and hierarchy of anomalies in a purely repulsive core-softened system. It was found that in two dimensional systems, a size of 100 particles is sufficient for obtaining accurate details.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Adnan Jaradat, Rakan Al-Salman, Abdalla Obeidat
Summary: The vapor-liquid equilibrium of six primary alcohols were studied using molecular dynamics simulations and compared with experimental results. The study found that neglecting the Lennard-Jones interaction significantly reduced the critical temperature values and determining the critical temperature using surface tension gave more accurate results. The TraPPE-UA potential field showed good accuracy in predicting the critical temperature.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Michele Valsecchi, Amparo Galindo, George Jackson
Summary: The thermodynamic properties of aqueous mixtures of polyethylene glycol (PEG) are described using the SAFT-gamma Mie group-contribution equation of state. The model successfully predicts the miscibility gaps in a temperature range and shows good agreement with experimental results.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Roman Tomaschitz
Summary: Analytic closed-form expressions for the liquid and vapor saturation densities defining the coexistence curve are obtained. The coexistence curves of nitrogen, ethene, and sulfur hexafluoride are derived using high-precision data, and the critical power-law scaling of the order parameter and coexistence-curve diameter is examined. The Log-Log slopes of various quantities are used to determine the ideal power-law scaling regime and illustrate the slope evolution in the subcritical regime.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Nivaar Brijmohan, Kuveneshan Moodley, Caleb Narasigadu
Summary: An artificial neural network-based QSPR model was developed to estimate binary interaction parameters for the temperature-dependant form of the NRTL model. This model serves as a supplement to overcome limitations of group contribution methods in solvent screening and has been proven to be effective in improving the robustness of the screening process.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Marco Campestrini, Paolo Stringari, Salem Hoceini
Summary: In this paper, the solubility of benzene in different phases of methane was predicted using the GERG-2008 equation of state and the Gibbs free energy equation. The obtained results were in good agreement with experimental data and emphasized the significance of accurately representing the density of the fluid phase for predicting the solubility of solids in fluids.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier, Ioannis G. Economou
Summary: This paper discusses theoretical considerations on electrolyte thermodynamic models for single and mixed solvent solutions. The authors find that there is no consensus among researchers on many fundamental issues in this field. They point out the need to convert electrolyte terms to the framework of the physical model and emphasize the importance of the Born term for liquid-liquid equilibrium calculations.
FLUID PHASE EQUILIBRIA
(2024)