Article
Biochemistry & Molecular Biology
Ulrike Paap, Bernd Kress, Hans-Peter Steinrueck, Florian Maier
Summary: In this study, the surface and interface tension measurements of two ionic liquids were reported. A newly developed experimental setup was used to perform the measurements under high vacuum conditions. The results showed that the surface tension varied under different conditions, which is important for understanding the microscopic parameters determining surface tension and for benchmarking theoretical calculations.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Energy & Fuels
Ali Esfandiarian, Ali Maghsoudian, Afshin Davarpanah, Yousef Tamsilian, Shahin Kord
Summary: A new method was introduced in this study to measure ultra-low interfacial tension, using needles with different outer diameters to provide a wide range of surface and interfacial tension values from ultra-low to high. Furthermore, a comprehensive table was created based on the results to assist researchers in selecting the best needle for their experiments.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2022)
Article
Engineering, Chemical
Karthik Nuthalapati, Yu-Jane Sheng, Heng-Kwong Tsao
Summary: This study observed the time evolution of Silwet-laden DMF droplets below a substrate and determined the dynamic surface tensions of pendant drops. The results showed that low concentrations of Silwet resulted in a slow decrease in surface tension, while high concentrations led to rapid droplet detachment. This peculiar interfacial dynamics can be attributed to the unique properties of Silwet in DMF.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2022)
Article
Polymer Science
Hongwei Li, Martin Fauquignon, Marie Haddou, Christophe Schatz, Jean-Paul Chapel
Summary: The study systematically investigated the surface activity of polyelectrolyte complex (PECs) suspensions as a function of the molar charge ratio Z. It was found that the surface tension of PECs decreases as the system approaches charge stoichiometry. The behavior of complex systems at stoichiometry is informative about the physical nature of the complexes.
Article
Materials Science, Multidisciplinary
Masashi Nakamoto, Toshihiro Tanaka, Takaiku Yamamoto
Summary: The floating drop method was used to measure the interfacial tension between liquid Pb and a molten mixture of LiCl-NaCl-KCl. The results agreed with previous reports.
Article
Thermodynamics
Jian Yang, Jiangtao Wu
Summary: This work contributes to the experimental measurements and modelling of surface tension for medium-to long-chained hydrocarbon mixtures involved in the Fischer-Tropsch process under high-temperature conditions. The experimental results show deviations from existing models, leading to the proposal of a new model for correlating the surface tension of multicomponent mixtures.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
Article
Physics, Condensed Matter
Yueqiang Zhao
Summary: Solubility property is of great interest in chemical, physical, pharmaceutical, material, and environmental sciences. Understanding the intrinsic reason behind solubility behavior is a fascinating task. The theoretical relation between binary mutual solubility and liquid-liquid interfacial tension has been derived, where the partitioning of solute molecules between two coexisting liquid phases is determined by the transfer free energy per unit segment for a chain-like solute molecule expressed in terms of solute-solvent interfacial tension. This general theory of solubility is in good agreement with experimental results for binary mutual solubility and molar transfer free energy of solute molecules.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Chemistry, Physical
Tijana Fechter, Rafael Villablanca, Vesna Leontijevic, Angel Martin, Philip Jaeger, Maria Jose Cocero
Summary: The interfacial tension (IFT) at vapor/liquid equilibrium was measured for the pure water system and the binary water/nitrogen system using the pendant drop method in a high-pressure-high temperature view cell. The results showed that the IFT of the binary system is similar to that of the pure water system up to 500 K, but starts to significantly differ at higher temperatures, reflecting the phase behavior of both systems.
JOURNAL OF SUPERCRITICAL FLUIDS
(2023)
Article
Chemistry, Physical
Masoumeh Siyar, Mostafa Lashkarbolooki
Summary: This study aims to evaluate the binary mixture of different types of surfactants on the cationic imidazolium-based ionic liquid. The interfacial tension of crude oil/surfactant solutions is optimized using a response surface methodology, and the effects of various factors are investigated.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Veronika Turinicova, Martin Mosko, Pavol Durina, Syed A. M. Tofail, Tomas Roch, Maros Gregor
Summary: A simple noninvasive measurement method is developed to determine the trapped charge in a biocompatible hydroxyapatite dielectric. The trapped charge is determined by analyzing the shape change of a liquid droplet hanging from a needle near the charged sample surface. The method is easily implementable into standard pendant drop setups, and it demonstrates a long-term charge stability of the charged hydroxyapatite.
Article
Chemistry, Multidisciplinary
Keith D. Hillaire, Praneshnandan Nithyanandam, Minyung Song, Sahar Rashid Nadimi, Abolfazl Kiani, Michael D. Dickey, Karen E. Daniels
Summary: This paper presents a suite of techniques to measure the electrical and interfacial properties of room-temperature liquid eutectic gallium indium (EGaIn) as a function of applied electric potential. The study provides new insights into the mechanisms that cause the significant decrease in interfacial tension. A key finding is the hysteresis behavior of the interfacial tension with lowering applied potential. The authors combine these observations with electrochemical impedance spectroscopy to evaluate the changes in interfacial tension arising from chemical, electrical, and mechanical changes on the interface.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Wentao Zhang, Yuhua Chen, Jilin Xie, Timing Zhang, Shanlin Wang, Xiao Song, Limeng Yin
Summary: Magnetic pulse welding (MPW) is used to join dissimilar metals with no mutual solubility, such as Al/Ta. The Al/Ta interface was characterized using SEM, TEM, and EDS, revealing the formation of different types of interfaces due to the inhomogeneity of the MPW process. The coexistence of nanocrystalline/amorphous bi-phase interface and continuous intermetallic compound (IMC) suggests that high strain is the main cause of interfacial amorphous.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Biochemistry & Molecular Biology
Ulrike Paap, Vera Seidl, Karsten Meyer, Florian Maier, Hans-Peter Steinrueck
Summary: This study investigates the surface tension and surface composition of mixtures of two ionic liquids under ultraclean vacuum conditions. It finds a selective surface enrichment of alkyl chains at low concentrations and successfully predicts the temperature-dependent surface tension values with high accuracy.
Article
Mechanics
D. Zrnic, P. Berglez, G. Brenn
Summary: Theoretical investigation is conducted on the nonlinear axisymmetric shape oscillations of a Newtonian drop in a vacuum, revealing phenomena such as surface deformation, frequency decrease, and quasi-periodicity of motion. Viscosity is found to dampen nonlinear behavior and enhance the coupling of different oscillation modes.
Article
Chemistry, Physical
Claudio Nunes Pereira, Guilherme Canete Vebber, Raquel S. Mauler, Otavio Bianchi
Summary: This publication presents the achievement of partial surface tension properties of liquids using an adapted Good-Girifalco approach. The results show that the interfacial tension data of water is suitable for estimating the dispersive component of surface tension, while the interfacial tension of squalene is more accurate for calculating the polar component. The proposed method strengthens the relationship between solubility parameters and surface tension parameter, which is of great importance for the field of Materials Science.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Review
Chemistry, Multidisciplinary
Mingyu Yang, Lin Chen, Jiangjiang Wang, Goodluck Msigwa, Ahmed Osman, Samer Fawzy, David W. Rooney, Pow-Seng Yap
Summary: Global industrialization and excessive dependence on nonrenewable energy sources have resulted in increased solid waste and climate change. The adoption of circular economy strategies is necessary to reduce carbon emissions and achieve carbon neutrality. The use of bio-based materials poses challenges in terms of land use, and carbon removal technologies are prohibitively expensive. While only a few companies have set climate change goals, circular economy strategies can be implemented in various sectors with the optimization of new systems requiring life cycle assessment.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Ahmed Osman, Lin Chen, Mingyu Yang, Goodluck Msigwa, Mohamed Farghali, Samer Fawzy, David W. Rooney, Pow-Seng Yap
Summary: Energy derived from fossil fuels has a significant impact on global climate change, but renewable energy sources must be utilized to reduce carbon emissions. Solar, wind, and biomass energy prices have been declining, but climate change may affect wind and hydropower production. Renewable energy sources can greatly reduce carbon emissions and contribute to climate change mitigation.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Mayank G. Sharma, Ruturajsinh M. Vala, Dhanji P. Rajani, Venkatachalam Ramkumar, Ramesh L. Gardas, Sourav Banerjee, Hitendra M. Patel
Summary: A solvent-free synthesis of 5-bromothiophene based 3,4-dihydropyrimidin-2-(1H)-(thi)ones was investigated in this study. The main advantages include the easy workup process to obtain pure products without the need for separation techniques, and the high yields achieved (66-80%). The synthesized compounds were characterized using various analytical techniques and evaluated for their antifungal and antibacterial activity, showing promising results. ADMET prediction revealed that all compounds possess drug-like properties.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
(2023)
Article
Economics
Christopher Lowans, Aoife Foley, Dylan Furszyfer Del Rio, Brian Caulfield, Benjamin K. Sovacool, Steven Griffiths, David Rooney
Summary: This study evaluates for the first time the overlapping conditions and causal mechanisms of energy poverty and transport poverty in Ireland, finding a widespread presence of both and a lack of public knowledge on related factors and solutions. Moreover, self-reported data does not align with expected outcomes. Therefore, precise targeting of individuals and households for support measures is not optimal for decarbonization and alleviating energy and transport poverty conditions, and some relevant policy implications are suggested.
Review
Chemistry, Multidisciplinary
Lin Chen, Lepeng Huang, Jianmin Hua, Zhonghao Chen, Lilong Wei, Ahmed I. Osman, Samer Fawzy, David W. Rooney, Liang Dong, Pow-Seng Yap
Summary: The construction industry needs to achieve net-zero carbon emissions by 2050 due to its heavy reliance on non-renewable energy and contribution to greenhouse gas emissions. Construction activities account for 36% of global energy consumption and 39% of global carbon dioxide emissions. Government policies, carbon emission analysis models, and sustainable materials are essential for reducing carbon emissions. This review focuses on the history, carbon emissions, policies, models, life cycle assessment, and sustainable materials in green construction, presenting national policy frameworks and technology roadmaps to achieve carbon neutrality in the building sector.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Ahmed Tawfik, Mohamed Eraky, Mohamed N. Khalil, Ahmed Osman, David W. Rooney
Summary: This article reviews the use of sulfonated graphene and sulfonated graphene oxide nanomaterials for water pollution treatment and fine chemicals production from biomass. These nanomaterials exhibit excellent catalytic activity, adsorption capacity, and anti-fouling properties, while also improving the performance of membranes.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Ahmed I. Osman, Mohamed Farghali, Ikko Ihara, Ahmed M. Elgarahy, Amir Ayyad, Neha Mehta, Kim Hoong Ng, Eman M. Abd M. El-Monaem, Abdelazeem S. Eltaweil, Mohamed Hosny, Seham M. Hamed, Samer Fawzy, Pow-Seng Yap, David W. Rooney
Summary: Climate change necessitates the development of advanced carbon-neutral and circular methods for material and fuel production. This review focuses on the pyrolysis of algal and lignocellulosic biomass, analyzing the various products and mechanisms involved, as well as exploring techniques for upgrading the resulting oil. The economic viability and environmental impact of this process are also evaluated through life cycle assessments. The study finds that product yields are significantly influenced by the pyrolysis method and identifies key factors controlling the distribution of pyrolysis products. Furthermore, the potential of biochar in carbon dioxide sequestration and the economic feasibility of biochar and bio-oil generation are discussed.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Ahmed I. Osman, Ahmed M. Elgarahy, Abdelazeem S. Eltaweil, Eman M. Abd El-Monaem, Hisham G. El-Aqapa, Yuri Park, Yuhoon Hwang, Ali Ayati, Mohamed Farghali, Ikko Ihara, Ala'a H. Al-Muhtaseb, David W. Rooney, Pow-Seng Yap, Mika Sillanpaa
Summary: In response to the energy crisis and environmental pollution, research on efficient methods such as environmental catalysis for biofuel production and water purification has increased. Environmental catalysis involves the use of green catalysts to break down pollutants and produce chemicals without generating undesirable by-products. This review focuses on environmental photocatalysis, biocatalysis, and electrocatalysis, covering catalyst synthesis, structure, and applications. Biomass-derived materials, metal-organic frameworks, non-noble metals nanoparticles, nanocomposites, and enzymes are common catalysts. Water pollutants can be efficiently degraded using heterogeneous Fenton catalysis, with degradation rates ranging from 71.7% to 100%. Photocatalysis can produce dihydrogen (H-2) at a generation rate exceeding 100 μmol h(-1), while methane cracking yields dihydrogen ranging from 27% to 88%. Biodiesel production ranges from 48.6% to 99%.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Mohamed Farghali, Ahmed I. Osman, Zhonghao Chen, Amal Abdelhaleem, Ikko Ihara, Israa M. A. Mohamed, Pow-Seng Yap, David W. Rooney
Summary: The integration of renewable energies into the electricity sector can create employment opportunities, reduce water production costs and environmental impacts, and contribute to carbon emission reduction and climate change mitigation. Hybrid energy systems are more reliable in the face of climate change impacts on power supply.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Mohamed Farghali, Ahmed I. Osman, Israa M. A. Mohamed, Zhonghao Chen, Lin Chen, Ikko Ihara, Pow-Seng Yap, David W. Rooney
Summary: New technologies, systems, societal organization, and policies are urgently needed to save energy in the face of accelerated climate change, the Ukraine conflict, and the COVID-19 pandemic. Green alternatives, such as biomass boilers and solar thermal systems, offer solutions for the energy crisis, while artificial intelligence shows great potential in energy-saving measures. The global energy consumption can be reduced through the use of renewable energy sources, energy-efficient building systems, and intelligent energy monitoring.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Article
Engineering, Chemical
Pawan Gupta, Smita Mondal, Ramesh L. Gardas, Jitendra S. Sangwai
Summary: This study investigates the kinetics of gas hydrate formation in the presence of Ionic Liquids (ILs) and organic Quaternary Ammonium Salts (QASs). The results show that TBAB at 0.05 mf is the most promising QAS for gas storage and gas separation/processing. Aqueous solutions of aromatic-based ILs generally promote hydrate formation, while the presence of ILs with bigger cations acts as a good nucleating agent.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Review
Green & Sustainable Science & Technology
Zhonghao Chen, Ahmed I. Osman, David W. Rooney, Wen-Da Oh, Pow-Seng Yap
Summary: The progression of urban industrialization leads to heavy metal contamination in the aquatic environment. Traditional methods for removing heavy metals from wastewater have varying removal efficiencies, while algae adsorption technology is a cost-effective and sustainable bioremediation technique. Immobilization technology, which immobilizes algae to improve stability and adsorption performance, is a green and promising approach. This review focuses on studying the optimization strategy of immobilized algae for heavy metal bioremediation and comprehensively analyzing the sustainability of immobilized algae technology.
Article
Chemistry, Physical
K. K. Athira, Ramesh L. Gardas
Summary: Ionic liquids have gained attention as a potential solvent for DNA based studies due to their ability to enhance DNA stability. This study investigates the interaction between ILs and DNA through the measurement and calculation of physicochemical properties, providing insights into their solvation behavior.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
K. J. Jisha, Ramesh L. Gardas
Summary: The study shows that ionic liquids (ILs) based on 1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU) can act as suitable solvents and have a positive impact on hemoglobin (Hb). Spectroscopic analysis reveals that these ILs exhibit Hb-friendly behavior at lower concentrations, preserving the absorbance and fluorescence behavior of the protein molecule and increasing its solubility.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Dasthaiah Keshapolla, Nagaraju Devunuri, Sushma P. Ijardar, Ramesh L. Gardas
Summary: This study focuses on the synthesis of hydrophobic ionic liquids and their behavior in different solvents, as well as their application in metal ions extraction. New protic ionic liquids containing Trihexylammonium cation and carboxylate anions were investigated. Experimental measurements were conducted on binary systems of the ionic liquids in toluene and dodecane, and the results showed that the apparent molar properties were sensitive to changes in temperature, solvent, and anion's structure. The interaction strength between the ionic liquids and solvents was found to be greater in the systems with dodecane compared to those with toluene.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
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)
