Article
Chemistry, Physical
Yuri N. Starodubtsev, Vladimir S. Tsepelev
Summary: The relationship between the volumetric thermodynamic coefficients and interatomic bond energy of liquid metals at the melting point was investigated and equations connecting cohesive energy with thermodynamic coefficients were derived using dimensional analysis. These relationships were validated by experimental data for various types of metals. Cohesive energy was found to be proportional to the square root of the ratio of melting point to thermal expansivity. The dependence of bulk compressibility and internal pressure on atomic vibration amplitude was found to be exponential. The highest coefficient of determination in these relationships was observed for metals with high packing density and alkali metals. The contributions of electrons and atomic vibrations to the Gruneisen parameter in liquid metals at their melting point can be calculated.
Article
Thermodynamics
Jingyuan Guan, Xuehua Zhang, Huazhou Li
Summary: The translation discusses the significance of isothermal compressibility and isobaric thermal expansivity in petroleum and chemical processes, as well as the development and application of volume translation strategies to enhance prediction accuracy.
FLUID PHASE EQUILIBRIA
(2022)
Article
Thermodynamics
Juan Wang, Zenghui Li, Xianyang Meng, Jiangtao Wu
Summary: This work presents the liquid densities of n-octane, ethylcyclohexane, and their binary mixtures at different mole fractions. The measurements were performed using a high-pressure vibrating-tube densimeter under various conditions. The experimental densities were correlated using the modified Tait equation, with a low average absolute percentage deviation from the correlations.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2023)
Article
Thermodynamics
Jose Julio P. dos Santos Junior, Roberto G. Pereira, Amsterdam J. S. M. de Mendonca, Dalni M. do Espirito Santo Filho, Mila Rosendahl-Avelino, Jose M. Gouveia
Summary: This work aims to present correlations of density, isobaric thermal expansivity coefficient, and isothermal compressibility coefficient for n-dodecane and n-nonane as a function of temperature and pressure. These correlations can be used to obtain these properties at any temperature and pressure within a specific range.
INTERNATIONAL JOURNAL OF THERMOPHYSICS
(2022)
Article
Thermodynamics
T. Barath Adhithya, G. Venkatarathnam
Summary: Isobaric-isothermal flash calculations are crucial in process calculations. This paper introduces two new methods that can solve equations rapidly and converge correctly even close to the critical point. The use of full equations instead of simplified equations results in faster convergence. Two different approaches, pressure-based and density-based, are presented, with the density-based approach particularly useful in reducing computational time for multiparameter equations of state.
FLUID PHASE EQUILIBRIA
(2021)
Article
Thermodynamics
Olga Prokopova, Ales Blahut, Miroslav Censky, Monika Souckova, Vaclav Vins
Summary: Vibrating tube densimeter is a popular instrument for quick and accurate density measurement of liquids and gases. This study presents a calibration procedure and uncertainty analysis for a commercial borosilicate glass vibrating tube densimeter and verifies its effectiveness. The influence of fluid viscosity and damping, isotopic composition of calibration water, measurement procedure, and water content in samples are also discussed.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
Article
Instruments & Instrumentation
T. Fedotenko, D. S. Souza, S. Khandarkhaeva, L. Dubrovinsky, N. Dubrovinskaia
Summary: A method utilizing high-resolution optical microscopy for studying the equation of state of opaque amorphous and crystalline materials in diamond anvil cells was presented. Data on volumetric strain as a function of pressure allowed derivation of the isothermal equation of state of the material. The methodology was validated by studying isothermal compression of omega-Ti and glassy carbon under high pressure.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2021)
Article
Thermodynamics
Liam D. Tenardi, Ophelia Frotscher, Xiaoxian Yang, Fuyu Jiao, Markus Richter, Paul L. Stanwix, Eric F. May
Summary: This study investigated the behavior of liquid 3,3,3-trifluoropropene (R-1243zf) using a vibrating-tube densimeter. The measurements extended into the low-temperature and high-density region, and density was calculated using a physically based and a polynomial model. The experimental densities were estimated to have an expanded uncertainty of 1.7 kg·m(-3). The representation of R-1243zf in the REFPROP 10.0 database deviates from the experimental data by up to 2.0%, but a new density correlation based on genetic programming was able to improve agreement within 0.2%.
INTERNATIONAL JOURNAL OF THERMOPHYSICS
(2023)
Article
Thermodynamics
Christian W. Scholz, Roland Span
Summary: The study investigates the densities of monoethanolamine (MEA) and diethanolamine (DEA) in the homogeneous liquid phase using a high-pressure vibrating-tube densimeter. Through modifications to the setup and careful measurements, the study expands the database for MEA and DEA with regards to pressure. The results show a maximum relative deviation of -0.18% for MEA and -0.41% for DEA at the highest investigated temperature and pressure levels.
INTERNATIONAL JOURNAL OF THERMOPHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Khangamlung Kamei, Muhammad A. Khan, Kamran A. Khan
Summary: This study investigated the effects of heating rates on modal parameters of a cantilever beam with and without cracks. The results showed that heating at different rates has minimal impact on modal parameters, with more evident effects at higher temperatures.
APPLIED SCIENCES-BASEL
(2021)
Article
Instruments & Instrumentation
Samantha Remigi, Tullio Mancini, Simona Ferrando, Maria Luce Frezzotti
Summary: Raman spectroscopy is widely used to calculate CO2 fluid density in geological environments, based on measuring the Fermi diad split in the CO2 spectrum. Recent research has shown that the calibration of Raman CO2 densimeters is influenced by experimental parameters and requires calibration based on spectral resolution for interlaboratory application.
APPLIED SPECTROSCOPY
(2021)
Article
Thermodynamics
Olga Prokopova, Ales Blahut, Jan Hajduch, Katerina Kucnirova, Miroslav Censky, Ali Aminian, Markus Richter, Vaclav Vins
Summary: This study reports the liquid density data for five HFEs, and detects unexpected density shifts in the HFE-7100 and HFE-7200 liquid samples. The ratio of n-isomer and iso-isomer in different liquid samples was examined using nuclear magnetic resonance spectroscopy, revealing significant density differences. Hence, the properties of different HFE isomers cannot be considered identical in certain applications.
INTERNATIONAL JOURNAL OF THERMOPHYSICS
(2023)
Article
Acoustics
Sylwia Szpaczek, Wojciech Marczak
Summary: The heat capacities of twelve liquids were calculated using the speed and density method, and showed satisfactory agreement with reference values. This method has the potential to replace classical calorimetry.
ARCHIVES OF ACOUSTICS
(2022)
Article
Nanoscience & Nanotechnology
Huaming Li, Hao Ding, Yanting Tian, Yongli Sun, Mo Li
Summary: New regularities in liquid gallium are obtained through analysis of experimental data and calculated thermodynamic properties along isothermal lines with a power law equation of state. These regularities show linear relationships between certain variables at high temperatures, verified by analytical expressions from the derived linear isothermal regularity equation of state.
Article
Multidisciplinary Sciences
Azhar Iqbal Kashif Butt, Nehad Ali Shah, Waheed Ahmad, Thongchai Botmart, Naeed Ahmad
Summary: In this paper, an isothermal glass tube drawing model composed of three coupled nonlinear partial differential equations is studied. The steady-state solution is obtained using a numerical based approach, where the boundary value problem is converted into a set of initial value problems and an integrating technique is implemented to develop the analytical solution.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
J. Safarov, G. Huseynova, M. Bashirov, E. Hassel, I. M. Abdulagatov
PHYSICS AND CHEMISTRY OF LIQUIDS
(2018)
Article
Chemistry, Multidisciplinary
Duygu Uysal Ziraman, Javid T. Safarov, Ozkan Murat Dogan, Egon P. Hassel, Bekir Zuhtu Uysal
JOURNAL OF THE SERBIAN CHEMICAL SOCIETY
(2018)
Article
Chemistry, Physical
Mafgorzata Musial, Michal Zorebski, Marzena Dzida, Javid Safarov, Edward Zorebski, Egon Hassel
JOURNAL OF MOLECULAR LIQUIDS
(2019)
Article
Thermodynamics
Javid Safarov, Aytakin Guluzade, Egon Hassel
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2019)
Article
Thermodynamics
Martin Theile, Martin Reissig, Egon Hassel, Dominique Thevenin, Martin Hofer, Karsten Michels
INTERNATIONAL JOURNAL OF ENGINE RESEARCH
(2020)
Article
Thermodynamics
Javid Safarov, Aytakin Guluzade, Egon Hassel
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2020)
Article
Chemistry, Applied
Alexander R. Lowe, Bernadeta Jasiok, Vyacheslav V. Melent'ev, Olga S. Ryshkova, Vadim I. Korotkovskii, Anton K. Radchenko, Eugene B. Postnikov, Monika Spinnler, Ulkar Ashurova, Javid Safarov, Egon Hassel, Miroslaw Chorazewski
FUEL PROCESSING TECHNOLOGY
(2020)
Article
Thermodynamics
Javid Safarov, Khagani Suleymanli, Abilgani Aliyev, Darius J. Yeadon, Johan Jacquemin, Mahir Bashirov, Egon Hassel
JOURNAL OF CHEMICAL THERMODYNAMICS
(2020)
Article
Thermodynamics
Valery Zhdanov, Nikolai Kornev, Egon Hassel
INTERNATIONAL JOURNAL OF HEAT AND FLUID FLOW
(2020)
Article
Chemistry, Physical
Paris Chatzitakis, Javid Safarov, Frank Opferkuch, Belal Dawoud, Egon Hassel
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Proceedings Paper
Engineering, Mechanical
Sascha Andree, Dmitry Goryntsev, Martin Theile, Bjoern Henke, Karsten Schleef, Juergen Nocke, Ferry Tap, Bert Buchholz, Egon Hassel
PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE FALL TECHNICAL CONFERENCE, 2019
(2020)
Article
Chemistry, Multidisciplinary
Javid Safarov, Ulkar Ashurova, Bahruz Ahmadov, Egon Hassel
JOURNAL OF THE SERBIAN CHEMICAL SOCIETY
(2019)
Proceedings Paper
Energy & Fuels
Raphael Wittenburg, Moritz Huebel, Hinrich Prause, Conrad Gierow, Martin Reissig, Egon Hassel
INNOVATIVE SOLUTIONS FOR ENERGY TRANSITIONS
(2019)
Proceedings Paper
Engineering, Mechanical
Moritz Huebel, Jens Hinrich Prause, Conrad Gierow, Egon Hassel, Raphael Wittenburg, Dorian Holtz
PROCEEDINGS OF THE ASME POWER CONFERENCE, 2018, VOL 2
(2018)
Article
Thermodynamics
Misirkhan A. Talibov, Javid T. Safarov, Egon R. Hassel, Ilmutdin M. Abdulagatov
HIGH TEMPERATURES-HIGH PRESSURES
(2018)
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)