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
Chemistry, Physical
Javad Saien, Behnaz Shokri, Mona Kharazi
Summary: This study investigates the effects of a benzimidazolium cationic GSAIL and SDS surfactants on the properties of crude oil-water interface. Synergistic effects were observed in reducing interfacial tension (IFT), promoting emulsification, and altering wettability. The attractive interaction between the cationic GSAIL and the anionic SDS contributes to the remarkable performance.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Energy & Fuels
Saman Khosravi Magham, Jagar A. Ali, Abbas Khaksar Manshad, Pshtiwan T. Jaf, Buya S. Hisqel
Summary: In this study, the extract of the Passiflora plant was used as a natural surfactant for enhanced oil recovery. The optimal critical micelle concentration (CMC) was found to be 4 wt%, which resulted in a minimum interfacial tension (IFT) of 13 mN/m and a contact angle (CA) of 55 degrees on the surface of the carbonate rock. The surfactant solution enabled an additional 7.5% original oil in place (OOIP) to be extracted from the rock plug.
Article
Energy & Fuels
Mona Kharazi, Javad Saien
Summary: This study investigates the effects of imidazolium nano GSAILs, salts, and pH on the crude oil-water system. Results show that medium and long alkyl chain GSAILs significantly reduce interfacial tension and critical micelle concentration. Furthermore, alkaline conditions enhance emulsification with imidazolium nano GSAILs.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2022)
Article
Energy & Fuels
Qipeng Ma, Weiyao Zhu, Zhiyong Song, Jie Zhang, Bingbing Li, Wengang Bu, Bin Pan
Summary: Interfacial tension (IFT) and wettability are important factors in determining oil/water distributions and hydrocarbon production in reservoirs. This study investigates the effects of ionic liquids (ILs) on IFT and wettability in sandstone reservoirs. The results show that ILs can lower alkane-water IFT and influence the interaction between oil droplets and the quartz surface. Molecular dynamic simulations indicate that ILs can reduce the interaction energy between octane droplets and the quartz surface. These findings have promising applications in enhanced oil recovery and oil contamination removal.
Article
Chemistry, Physical
Radman Hosseinzadeh Semnani, Mahsa Baghban Salehi, Babak Mokhtarani, Ali Sharifi, Mojtaba Mirzaei, Vahid Taghikhani
Summary: This study investigates the performance of novel ionic liquids in a lab-scale Enhanced Oil Recovery (EOR) setup compatible with Iranian oil reservoir conditions. The results demonstrate the resistance of these ionic liquids to harsh reservoir conditions and their potential to improve oil field production efficiency.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
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, Physical
Mohammad Barari, Mostafa Lashkarbolooki, Reza Abedini
Summary: The investigation focused on new families of ionic liquid (IL) based surfactants for enhanced oil recovery. Imidazolium based ILs with different alkyl chain lengths were synthesized and their effects on interfacial tension, emulsification, and wettability alteration were examined. Results showed different responses to NaCl and Na2SO4 salts based on the alkyl chain length of the ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
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
Chemistry, Multidisciplinary
Abdelrahman O. Ezzat, Hamad A. Al-Lohedan, Ayman M. Atta
Summary: This study focuses on the preparation of new green oilfield chemicals based on ionic liquids with enhanced demulsification efficiency. Through modifications of the chemical structure, a new amphiphilic molecule was synthesized, showing promising demulsification performance at low doses and temperatures.
Article
Multidisciplinary Sciences
Ahmed F. Ibrahim, Khaled Z. Abdelgawad, Amer Al-Anazi, Jafar S. Al Hamad
Summary: Carbon dioxide (CO2) injection is an effective method for improving oil recovery in hydrocarbon reservoirs. The interfacial tension (IFT) between CO2 and crude oil is a critical parameter, and this study investigates the effects of temperature and crude composition on the minimum miscibility pressure and first-contact miscibility pressure by measuring the IFT values. The results show that temperature has a significant impact on the minimum miscibility pressure, while crude composition has a greater influence on the first-contact miscibility pressure. Correlating the IFT values with crude oil density and acid number provides a simple and cost-effective approach to understand the impact of crude oil composition on IFT under pressure. This research will enhance the simulation of CO2 EOR projects under reservoir conditions.
ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING
(2023)
Article
Energy & Fuels
Abdelrahman O. Ezzat, Ayman M. Atta, Hamad A. Al-Lohedan
Summary: Novel multifunctional tricationic pyridinium ionic liquids were synthesized and investigated for their potential application as demulsifiers for heavy crude oil emulsions, showing promising prospects in the petroleum industry.
Article
Chemistry, Physical
Qi Sun, Zhao-Hui Zhou, Chuan-Min Xiao, Ming Gao, Lu Han, Qi-Cheng Liu, Lei Zhang, Qun Zhang, Lu Zhang
Summary: Betaine, specifically linear alkylbenzene sulfonate betaine (ASB), has been studied as a surfactant for enhanced oil recovery (EOR). The interfacial properties of ASB were characterized using various methods, and it was found that the difference in interfacial tension had a greater impact on EOR than the interfacial film strength of betaine.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Energy & Fuels
Mahmood M. S. Abdullah, Hamad A. Al-Lohedan
Summary: This work focuses on the synthesis of alginate-based poly ionic liquids for efficient demulsification of water in oil emulsions. Two different poly ionic liquids were successfully synthesized and evaluated for their efficiency in demulsification.
Article
Energy & Fuels
Zhaleh Ahsaei, Moein Nabipour, Amin Azdarpour, Rafael M. Santos, Erfan Mohammadian, Parham Babakhani, Hossein Hamidi, Mohammad Afkhami Karaei, Ali Esfandiarian
Summary: This study investigated the effects of different surfactants on interfacial tension (IFT) and wettability alteration. The results showed that the tested surfactants are capable of significantly reducing IFT and changing wettability, potentially facilitating oil recovery.
ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS
(2022)
Article
Chemistry, Multidisciplinary
Elmira Rafatmah, Bahram Hemmateenejad
Summary: The effects of bipolar and driving electrodes materials, as well as electrolyte conductivity, on the required potential for starting water electrolysis in paper-based closed cell bipolar electrochemistry have been investigated. It has been demonstrated that electrolyte conductivity can have an impact on the initiation of water electrolysis even in the absence of ionic current in closed bipolar setups.
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY
(2022)
Article
Nanoscience & Nanotechnology
Mohammad Mahdi Bordbar, Javad Tashkhourian, Bahram Hemmateenejad
Summary: A paper-based optical nose was developed by depositing bimetallic silver and gold nanoparticles on paper, enabling the identification of different fuels based on color changes. The sensor demonstrated high efficiency for on-site detection of authentic gasoline samples from adulterated ones.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Analytical
Zahra Shojaeifard, Bahram Hemmateenejad
Summary: A novel method has been developed for immobilizing hydrophilic indicators on the surface of paper-based strips in aqueous solution. The method utilizes a hydrophobic deep eutectic solvent (DES) to immobilize the indicators without the need for hydrophobic barriers. The resulting colorimetric strip demonstrates homogeneous color, reversibility, and significant leaching stability over months.
SENSORS AND ACTUATORS B-CHEMICAL
(2022)
Article
Chemistry, Analytical
Hoda Sharifi, Javad Tashkhourian, Bahram Hemmateenejad
Summary: A simple colorimetric paper-based sensor array has been developed to quickly and accurately identify and discriminate different kinds of heavy metal ions. Analysis of the colorimetric patterns enables accurate classification of the metal ions, and it shows promising results for on-site analysis of water quality.
SENSORS AND ACTUATORS B-CHEMICAL
(2022)
Article
Biochemistry & Molecular Biology
Fayezeh Samari, Bahram Hemmateenejad, Santiago Aparicio, Mehdi Rashidi, Mojtaba Shamsipur, Sayed Mostafa Hosseini
Summary: The binding interaction between two organoplatinum complexes and calf thymus DNA (CT-DNA) was investigated using various biophysical techniques. The results showed that the complexes exhibited a tight intercalative interaction with CT-DNA, which was confirmed by both experimental and computational studies. These findings suggest that these organoplatinum complexes have potential for cancer therapeutic applications.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Automation & Control Systems
Elaheh Talebanpour Bayat, Morteza Akhond, Bahram Hemmateenejad
Summary: In this study, two-dimensional correlation spectroscopy and chemometrics analysis of infrared spectra are used to characterize structural features of EG-W binary solutions. Three distinctive regions were observed with different contributions of hydrophobic backbone and hydrophilic groups. The aqueous solutions of EG undergo a transition from EG-like to water-like solution. The EG-W mixtures are stabilized by hydrogen bonding interactions. A chemical model of EG-W interaction is proposed.
JOURNAL OF CHEMOMETRICS
(2023)
Article
Energy & Fuels
Sina Bazyar, Moein Nabipour, Amin Azdarpour, Bizhan Honarvar, Nadia Esfandiari
Summary: This paper aims to study the effect of different aqueous phases on oil recovery and asphaltene precipitation during waterflooding in core samples from the Azadegan oil field. The results of coreflood experiments show that seawater injection is a promising method for enhancing oil recovery in carbonate reservoirs like Azadegan.
ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS
(2023)
Article
Chemistry, Applied
Elham Ghohestani, Javad Tashkhourian, Bahram Hemmateenejad
Summary: A simple paper-based analytical device (PAD) has been developed to determine peroxide value (PV) in vegetable oils. The device works by setting up the iodometric titration on the paper substrate, where hydroperoxides react with iodide ions to generate iodine molecules. The method offers on-site and visual detection, low cost, simplicity, and less solvent consumption.
Article
Nanoscience & Nanotechnology
Hoda Sharifi, Javad Tashkhourian, Bita Geramizadeh, Elham Ghohestani, Vahid Zangouri, Fatemeh Asadian, Bahram Hemmateenejad
Summary: This study aimed to develop a portable, inexpensive, on-site, fast, small design paper-based device based on the electronic nose (E-nose) concept for the detection of malignancy in gastric cancer (GC) by analyzing volatile organic compounds emitted from human tissue. The sensing elements, eight types of fluorescent metallic nanoclusters, were immobilized on a paper substrate, and reacted with the emitted VOCs from tissue samples, leading to changes in fluorescence intensity. Chemometric methods were applied for pattern recognition and statistical analysis, and achieved 95% accuracy in discriminating between fresh cancerous and normal tissues.
ACS APPLIED NANO MATERIALS
(2023)
Article
Water Resources
Matin Bagheri, Hassan Mahani, Shahab Ayatollahi, Davood Zivar
Summary: This paper investigates the flow dynamics of hydrogen-water in aquifers, focusing on the effects of flow regime, compressibility, and hysteresis on the efficiency of hydrogen storage and recovery. The results show that a medium flow rate can minimize trapping mechanisms and improve the storability and recovery factor of hydrogen.
ADVANCES IN WATER RESOURCES
(2023)
Article
Chemistry, Analytical
Fereshte Mohamadi Gharaghani, Sara Mostafapour, Bahram Hemmateenejad
Summary: In this study, a sniffing device based on the sensor array concept was created to differentiate volatile organic compounds (VOCs) in cigarette smoke, using the catalytic properties of MoS2 quantum dots and the colorimetric responses of organic reagents. Unsupervised Principal Component Analysis (PCA) and supervised Linear Discriminant Analysis (LDA) methods were employed for data analysis, showing promising results with 100% accuracy. The developed sensor array demonstrated 100% accuracy in distinguishing cigarette brands and detecting fraud, with an LDA model accuracy of 98% for 126 cigarette samples.
Article
Energy & Fuels
Meysam Golmohammadi, Hassan Mahani, Shahab Ayatollahi
Summary: Despite numerous studies, a robust predictive capability for low-salinity waterflooding (LSWF) technique has not been established yet. This study aims at proposing a set of screening methods that offer the best LSWF predictive capability for various crude oil-brine-carbonate rock systems. The findings suggest that methods involving rock explicitly can capture the rock-type dependency of LSE more robustly.
GEOENERGY SCIENCE AND ENGINEERING
(2023)
Article
Energy & Fuels
Masoud Karimi, Shahab Ayatollahi
Summary: A new mechanistic approach is presented to predict radial flow acidizing up to near wellbore scale by considering the vital effects of porous media size and geometrical parameters of wormhole patterns. This model, validated using radial acid experiments, can quickly predict wormhole propagation rate without requiring excess up-scaling data and reduce the number of required experiments.
GEOENERGY SCIENCE AND ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Marzieh Dadkhah Aseman, Parisa Negaresh, Zahra Shojaeifard, Bahram Hemmateenejad, S. Masoud Nabavizadeh
Summary: The biomolecular interactions between two previously reported cycloplatinated complexes and bovine serum albumin (BSA) were investigated. The results showed a strong binding interaction between the complexes and the protein with a static quenching mechanism. The binding was found to be exothermic, involving mainly noncovalent hydrophobic forces and ionic interactions. The complexes induced structural changes in the protein and exhibited cytotoxicity against various cancer cell lines.
NEW JOURNAL OF CHEMISTRY
(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)
