Article
Thermodynamics
Xiaoya Zang, Jing Wang, Yong He, Xuebing Zhou, Deqing Liang
Summary: In this study, TBAB hydrates were synthesized and their carbon capture capacity from a ternary gas mixture of CH4/CO2/N-2 was investigated. The addition of TBAB increased the specific surface area of the hydrate crystals and transformed the hydrate structure. These findings are important for the development of hydrate gas separation technology.
Article
Engineering, Chemical
Bin-Bin Ge, Jin Yan, Dong-Liang Zhong, Yi-Yu Lu, Xi-Yue Li
Summary: CO2 capture was experimentally investigated by forming TBAB semiclathrate in a new system of TBAB + graphite nanofluids. The system of TBAB + graphite nanofluids showed preference for CO2 capture compared to TBAB solution and TBAB + SDS solution. The optimal concentration of 0.2 wt.% graphite nanoparticles was found to enhance hydrate growth in TBAB + graphite nanofluids.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Sakura Azuma, Jin Shimada, Katsuhiko Tsunashima, Takeshi Sugahara, Takayuki Hirai
Summary: In this study, a novel type of ionic clathrate hydrate with high equilibrium temperature and dissociation enthalpy was developed for thermal storage applications.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Lanyun Wang, Yu Chen, Yongliang Xu, Yajuan Zhang, Yao Li, Yan Wang, Jianping Wei, Tingxiang Chu
Summary: The effects of ionic liquids (ILs) on CO2 hydrates were studied, and it was found that all five ILs could increase CO2 consumption and enhance water to hydrate conversion. [P2 4 4 4][PF6] and [P6 4 4 4][PF6] promoted CO2 hydrate nucleation, resulting in a slightly higher temperature for phase equilibrium and reduced induction times. On the other hand, [N2 2 2 2]Br, [N2 2 2 2][NTf2], and [N2 2 2 2][PF6] slowed down CO2 hydrate nucleation, leading to a lower temperature for phase equilibrium and prolonged induction times.
Article
Chemistry, Physical
Wenxiang Zhang, Xinyan Du, Kai Guo, Renjie Chen, Jianbiao Chen
Summary: This paper systematically studied the thermophysical properties of semi-clathrate hydrates formed by aqueous solutions of tetrabutyl-(ammonium/phosphonium) salts with different concentrations. It found that semi-clathrate hydrates have good cycle performance, controllable formation conditions, and a wide range of phase change temperatures, providing a basis for energy-saving cold storage processes.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Energy & Fuels
Yu Wei, Qimeng Yang, Xuehua Zhang, Nobuo Maeda
Summary: This study investigated the shear strength of THF hydrate on substrates with different hydrophobicity and the impact of PVP. The results showed a decrease in critical shear stress with heating and an increase with the addition of PVP. Interestingly, the hydrates exhibited higher adhesive strength on hydrophobic substrates compared to hydrophilic ones.
Article
Thermodynamics
Ahmad Khafaei, Arash Kamran-Pirzaman
Summary: In this study, experiments were conducted to determine the phase change temperature and formation temperature of TBAF, TBAC, and TBAOH semiclathrate salts as cold thermal energy storage for air conditioning applications, as well as the effect of Tween 80 and SDS additives. The results showed that TBAF had the highest phase change temperature and formation temperature compared to TBAC and TBAOH.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2021)
Article
Engineering, Chemical
Xi-Yue Li, Jin Yan, Dong-Liang Zhong, Shi-Jian Lu, Bin-Bin Ge
Summary: This study investigated the formation of tetra-n-butyl ammonium bromide (TBAB) semiclathrate hydrate for CO2 capture through experiments and in situ Raman spectroscopy. The impacts of TBAB concentration and operating temperature on CO2 incorporation into TBAB semiclathrates were analyzed. The results showed that the structure transition of TBAB semiclathrates from type A to type B occurred in the presence of CO2, resulting in increased CO2 consumption. The TBAB semiclathrate formed at 2.57 mol % TBAB and 282.15 K was found to be a suitable system for CO2 capture.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Energy & Fuels
Meng-yang Li, Ming Gao, Qi-rong Zuo, Yu-gang Zhao, Li-xin Zhang
Summary: This study investigated the nucleation process of TBAB hydrate using high-speed photography and proposed a model for calculating the Gibbs free energy required for hydrate nucleation. The maximum critical nucleation size of A-type TBAB hydrate was calculated to be about 29 Å, and that of B-type TBAB hydrate was approximately 15.6 Å, providing insights for further research on hydrate formation kinetics.
Article
Thermodynamics
Huan-Ran Zhang, Zhi-Gao Sun
Summary: The formation of CO2 hydrate requires strict conditions, but the equilibrium conditions can be improved by using 2,5-dihydrofuran as a thermodynamic promoter.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2023)
Article
Thermodynamics
Feng-Mei Xie, Xi-Yue Li, Dong-Liang Zhong, Peter Englezos, Guo-Xiang Lu
Summary: This study demonstrates the phase behavior of TBPB and CO2 hydrates at different concentrations, with the addition of surfactant affecting phase equilibrium and CO2 consumption during formation. Further research should focus on increasing the CO2 storage capacity of TBPB semiclathrate hydrate.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2021)
Article
Chemistry, Physical
Parisa Naeiji, Tom K. Woo, Ryo Ohmura, Saman Alavi
Summary: This study investigated the interfacial behavior of tetrabutylammonium bromide (TBAB) aqueous solutions under different conditions. The results showed that TBAB solutions have lower interfacial tension and higher gas adsorption at the interface, which facilitate the formation of semiclathrate hydrates. CO2 exhibits preferential adsorption compared to CH4 due to stronger interactions in the solution. The increased adsorption of CH4 at the solution surface is attributed to the hydrophobic interactions between the TBAB cation and methane gas.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Analytical
Yuiko Tasaki-Handa, Atsuto Iwashita, Masami Shibukawa, Shingo Saito
Summary: A new liquid chromatography system using tetrabutylammonium bromide semiclathrate hydrate as the column-packing material was proposed to study the adsorption mechanisms of polar small molecules. The results showed that hydrophilic molecules were more strongly retained, and the retentions of aromatics and crown ethers were controlled differently. This approach provides valuable information for understanding the adsorption mechanisms of clathrate hydrate agglomeration inhibitors.
ANALYTICAL SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Hitoshi Kiyokawa, Takashi Miyamoto, Satoshi Takeya, Iku Ota, Taro Iwai, Atsushi Hotta, Ryo Ohmura
Summary: This study focuses on the potential of phase change materials (PCMs) as thermal energy storage (TES) medium for lithium-ion batteries (LIBs) in electric vehicles. Piperazine hexahydrate is identified as a promising candidate, with specific thermodynamic properties that make it suitable for practical design. By utilizing piperazine hexahydrate as a PCM, the volume of the TES tank in EVs can be reduced by approximately 31%, offering a more efficient alternative to conventional water-cooling systems.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Engineering, Chemical
Xiaoya Zang, He Li, Yubao Zhang, Yong Chen, Yong He, Nengyou Wu, Xuebing Zhou, Deqing Liang
Summary: The kinetic process of hydrate formation from CH4/CO2/N2 gas mixtures in the presence of CP and TBAB and its effect on gas separation efficiency were studied. The combination of CP and TBAB was found to inhibit the separation efficiency compared to pure CP. The CO2 split ratio followed the order SDS > CP > TBAB/CP > CP/SDS > TBAB, and both the adsorption capacity and gas consumption decreased with increasing TBAB concentration. Raman and XRD tests confirmed the presence of sI, sII, and semi-clathrate hydrates, and SEM images showed ellipsoid-shaped hydrate crystals with increasing specific surface area at higher TBAB concentration. These findings are important for evaluating the feasibility of using TBAB and CP in HBGS technology.
SEPARATION AND PURIFICATION TECHNOLOGY
(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)