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
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
Md Abrar Siddiquee, Rajan Patel, Juhi Saraswat, Bibi Shaguftah Khatoon, Mehraj Ud Din Parray, Farooq Ahmad Wani, Mohammad Rizwan Khan, Rosa Busquets
Summary: The study aimed to investigate the physicochemical and biological behavior of ionic liquids with different counter ions in the presence of an antibacterial drug, ciprofloxacin. The spontaneous interaction between ILs and CIP, increase in ILs aggregates size in presence of CIP, and the improvement in antibacterial activity of CIP in the presence of imidazolium ILs were observed. The results highlight the importance of ILs in pharmaceutical industries.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Chemistry, Multidisciplinary
Yuval Simha, Gil Daniels, Amalya Goldman, Elihay Kuniavsky, Dmitry Tsvelikhovsky
Summary: A new strategy for direct access to fully substituted polycyclic imidazolium salts using alpha-enaminones and proline as the reagents is reported. This open-flask operation is a catalyst-, metal-, and Lewis acid-free green process, which does not require an ion-exchange step. It can produce good yields with minimal formation of side products, and is not limited to aryl substituents.
Article
Chemistry, Physical
Yunxiang Lu, Yumei Hong, Zhijian Xu, Honglai Liu
Summary: This study systematically investigated the interfacial interactions and structures of imidazolium-based ILs on black phosphorus surfaces, revealing that adsorption is dominated by strong electrostatic interactions, weak van der Waals forces, and other interactions. The length of the alkyl chains in the cation plays a significant role in tuning the adsorption behaviors, and differences between protic and aprotic ILs were also examined.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Guohui Zhou, Kun Jiang, You Zhang, Zhenlei Wang, Xiaomin Liu
Summary: Ionic liquids (ILs) have been widely used but difficult to purify and recycle due to their hydrophilicity. This study calculated the free energy of water crossing ILs and found a linear relationship between surface tension and water content at the interface. The nonlinear change of surface tension with total water content was explained by investigating the interface structure with water content.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
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
Chemistry, Physical
Shailesh Padsala, Vijay Patel, Debes Ray, Vinod K. Aswal, Pratap Bahadur
Summary: The micellization and microstructure of mixed micelles from mixtures of anionic and cationic surfactants were extensively studied, showing low CMC and large negative interaction parameter values due to synergism in the mixed systems. The thermodynamic parameters for mixed monolayers and micelles were evaluated. The influence of the ILs on micellar growth, shape changes, and transitions to vesicles was dependent on the surface activity of ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Polymer Science
Kathryn E. O'Harra, Emily M. DeVriese, Erika M. Turflinger, Danielle M. Noll, Jason E. Bara
Summary: This study introduces a series of vinyl-imidazolium-based polyelectrolyte composites modified with multivalent imidazolium-benzene ionic liquids or crosslinked with novel cationic crosslinkers. The composites exhibited enhanced CO2 permeabilities and selectivities against N-2 or CH4, demonstrating the potential for tuning the properties and transport behaviors of ionic polymers using ionic liquid-inspired small molecules.
Article
Chemistry, Physical
Sajjad Gholinezhad, Apostolos Kantzas, Steven L. Bryant
Summary: This research investigates the role of nanoparticles in interfacial phenomena, specifically focusing on wettability alteration, interfacial tension, and emulsification characteristics. The results show that nanoparticles can alter the wettability and morphology of glass surfaces but have little effect on the interfacial tension between water and n-octane. Additionally, nanoparticles exhibit excellent performance in emulsification behavior for water-n-octane systems.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
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)
Review
Chemistry, Physical
Thao Minh Ho, Aysan Razzaghi, Arun Ramachandran, Kirsi S. Mikkonen
Summary: Emulsions play a significant role in various industries and the understanding of factors affecting their generation, such as properties of dispersed and continuous phases, system conditions, and emulsifier behavior, is crucial for their design and optimization of processing conditions.
ADVANCES IN COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
M. A. Deyab, M. I. Nessim, Abdelfattah Haikal, Q. Mohsen, N. A. Khalil
Summary: This paper describes the corrosion inhibiting action of four new imidazolium-derived ionic liquids (ILs). Various analytical techniques were used to confirm their molecular formula and characterize their adsorption behavior on a steel substrate. Results showed that these ILs exhibited effective corrosion suppression and adsorbed onto the steel surface through physi-chemisorption. SEM/EDX and FTIR analysis further supported the adsorption process of the ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Salhah H. Alrefaee
Summary: Through DFT computational study, it was found that imidazolium and pyridinium based ionic liquids exhibit good anticorrosive potential, with corrosion inhibition performance depending on the nature of alkyl groups and halide ions. Among the studied ionic liquids, certain compounds were found to show the best corrosion inhibition performance in both imidazolium and pyridinium based categories.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Polymer Science
David Domingo Huguet, Aitor Gual, Ricard Garcia-Valls, Adrianna Nogalska
Summary: This study demonstrates the potential of improving CO2 capture capabilities by supporting ionic liquids (ILs) on a polymeric matrix. The internal morphology and surface characteristics of the membrane were found to influence the ILs sorption capacity and CO2 solubility.
Article
Environmental Sciences
Javad Saien, Marzieh Fallah Vahed Bazkiaei
ENVIRONMENTAL TECHNOLOGY
(2018)
Article
Thermodynamics
Javad Saien, Mahdieh Razi Asrami, Sadegh Salehzadeh
JOURNAL OF CHEMICAL THERMODYNAMICS
(2018)
Article
Chemistry, Physical
M. Kasmaee, F. Varaminian, P. Khadiv-Parsi, J. Saien
JOURNAL OF MOLECULAR LIQUIDS
(2018)
Article
Chemistry, Physical
Javad Saien, Vahid Fadaei
JOURNAL OF MOLECULAR LIQUIDS
(2018)
Article
Energy & Fuels
Javad Saien, Sajjad Hashemi
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2018)
Article
Engineering, Chemical
Mandieh Razi Asrami, Javad Saien
SEPARATION AND PURIFICATION TECHNOLOGY
(2018)
Article
Acoustics
Javad Saien, Sana Daneshamoz
ULTRASONICS SONOCHEMISTRY
(2018)
Article
Acoustics
Javad Saien, Sana Daneshamoz
ULTRASONICS SONOCHEMISTRY
(2018)
Article
Environmental Sciences
Javad Saien, Amir Azizi
ENVIRONMENTAL ENGINEERING AND MANAGEMENT JOURNAL
(2018)
Article
Engineering, Chemical
Ali Reza Soleymani, Vahid Moradi, Javad Saien
CHEMICAL ENGINEERING COMMUNICATIONS
(2019)
Article
Engineering, Environmental
Javad Saien, Amir Azizi, Fatemeh Ghamari
WATER SCIENCE AND TECHNOLOGY
(2019)
Article
Engineering, Chemical
Javad Saien, Mona Kharazi, Meysam Yarie, Mohammad Ali Zolfigol
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2019)
Article
Engineering, Chemical
Omid Pourehie, Javad Saien
DESALINATION AND WATER TREATMENT
(2019)
Article
Chemistry, Applied
Javad Saien, Zohreh Mesgari
APPLIED ORGANOMETALLIC CHEMISTRY
(2017)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)