Article
Energy & Fuels
Hari Prakash Veluswamy, Praveen Linga
Summary: The study investigated the impact of salt on the kinetics of natural gas hydrate formation, showing that the presence of salt significantly slows down the formation rate of mixed natural gas hydrate and delays the completion time.
Article
Energy & Fuels
M. Fahed Qureshi, Vikas Dhamu, Adam Usadi, Timothy A. Barckholtz, Ashish B. Mhadeshwar, Praveen Linga
Summary: Carbon capture and sequestration is a critical method to reduce carbon footprint and achieve net-zero carbon emissions. This study examines the kinetics of CO2 hydrate formation using liquid CO2 and a green kinetic promoter, and presents a mathematical model for quantifying hydrate formation kinetics. The results show that the green kinetic promoter enhances the overall water to hydrate conversion and reduces the formation process time.
Article
Chemistry, Multidisciplinary
Xiluo Hao, Chengfeng Li, Qingguo Meng, Jianye Sun, Li Huang, Qingtao Bu, Congying Li
Summary: The three-phase coexistence line of CO2 hydrate was determined using molecular dynamics simulations. The influence of the water model on the equilibrium prediction was found to be greater than that of the CO2 model. Adjusting the parameters based on the solubility of CO2 in water improved the accuracy of the simulations.
Article
Chemistry, Multidisciplinary
Sepehr Keshvari, Saeid Abedi Farizhendi, Mohammad M. Ghiasi, Amir H. Mohammadi
Summary: The use of AdaBoost metalearning methodology in combination with tree-based models has successfully estimated the equilibrium dissociation temperature of clathrate hydrates, providing more reliable results compared to other methods.
Review
Energy & Fuels
Aijaz Abbasi, Fakhruldin Mohd Hashim
Summary: Hydrocarbon fluid flow is affected by changes in temperature, pressure, and composition, with solid precipitation posing severe issues in oil and gas production and transmission systems. Hydrate formation, a common solid precipitation problem, presents a significant risk in high-pressure natural gas transportation.
PETROLEUM SCIENCE AND TECHNOLOGY
(2022)
Article
Computer Science, Interdisciplinary Applications
Hongfei Xu, Zeren Jiao, Zhuoran Zhang, Mitchell Huffman, Qingsheng Wang
Summary: This study explores the application of machine learning algorithms in predicting methane hydrate formation temperature in salt water, with Gradient Boosting Regression being the most accurate prediction method.
COMPUTERS & CHEMICAL ENGINEERING
(2021)
Article
Energy & Fuels
Vyacheslav G. Smirnov, Andrey Y. Manakov, Zinfer R. Ismagilov
Summary: A new equation describing the equilibrium conditions for gas hydrate in thin pores of mesoporous materials is proposed in this study. The equation takes into account the size of hydrate particles together with the chemical potential of pore water in equilibrium with the hydrate. The modeling results are in reasonable qualitative agreement with the experimental data.
Article
Energy & Fuels
Ye Zhang, Gaurav Bhattacharjee, Mohana Dharshini Vijayakumar, Praveen Linga
Summary: Gas storage technologies are important for energy security and resilience. The use of clathrate hydrates, specifically Solidified Natural Gas (SNG), for natural gas storage is attractive due to its non-explosive nature and high volume density. Recent research has shown that the additive 1,3-dioxolane (DIOX) can improve the thermodynamic and kinetic performance of hydrate formation.
Article
Energy & Fuels
Barasha Deka, Ahmed Barifcani, Ammar Al Helal, Dana Badi, Vikas Mahto, Hari Vuthaluru
Summary: The study aims to determine the gas hydrate inhibition efficiency of propylene glycol as a thermodynamic inhibitor compared to monoethylene glycol, showing better inhibition efficiency for propylene glycol. The experimental observations are reliable, with a coefficient of determinants (R-2) value greater than or equal to 0.97.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2021)
Article
Energy & Fuels
Namrata Gaikwad, Gaurav Bhattacharjee, Jitendra S. Sangwai, Rajnish Kumar, Praveen Linga
Summary: This study investigates the kinetics and morphology of hydrate crystal growth in gas-water and gas-liquid hydrocarbon-water systems using different additives. The addition of tryptophan significantly enhances gas uptake and hydrate formation rate. In the gas-liquid hydrocarbon-water system, the presence of water-insoluble Cyclo-O hinders mass transfer between gas and bulk water phase, resulting in cloudlike hydrate formation.
Article
Engineering, Chemical
Lingjie Sun, Huilian Sun, Tian Wang, Hongsheng Dong, Lunxiang Zhang, Lei Yang, Jiafei Zhao, Yongchen Song
Summary: This study observed the formation behavior of hydrates in quartz glass beads using a nuclear magnetic resonance system, and found that not all molecules capable of forming hydrates exhibited water absorption effects. The interfacial tension between hydrates and bound water was the driving force for water migration, and larger particle sand facilitated water migration while low initial water saturation inhibited it.
Article
Energy & Fuels
Vikas Dhamu, M. Fahed Qureshi, Saifudin Abubakar, Adam Usadi, Timothy A. Barckholtz, Ashish B. Mhadeshwar, Praveen Linga
Summary: Carbon capture and storage [CCS] is essential for reducing CO2 emissions, and one potential CCS concept is compressing and storing captured CO2 as gas hydrates in deep oceanic sediments. However, the high salinity of seawater may affect the formation and storage of CO2 hydrates. Therefore, it is crucial to understand the kinetics of liquid CO2 hydrate formation and dissociation in static brine systems.
Article
Energy & Fuels
Guobiao Zhang, Xiaolong Ma, Dandan Jiang, Jiang Lu, Xiaoyu Fang, Dongbin Pan
Summary: This study introduces a new method, the high-pressure jet breaking and sand filling method, to transform marine gas hydrate reservoirs. The addition of sand with high mass fractions and large particle sizes can accelerate hydrate formation, delay hydrate decomposition, and bring the phase equilibrium curve of hydrates closer to the original sediment.
Article
Environmental Sciences
Zhiwei Zhu, Yuncheng Cao, Zihan Zheng, Nengyou Wu, Duofu Chen
Summary: This study applied the van der Waals-Platteeuw model to investigate the formation of CH4-H-2 hydrates in marine serpentinization environments, taking into account the effects of salinity. The model accurately predicted the three-phase equilibrium temperature and pressure for CH4-H-2 hydrates in pure water and provided theoretical insights for gas hydrate research in areas with marine serpentinization.
FRONTIERS IN MARINE SCIENCE
(2023)
Article
Energy & Fuels
Xiao-dong Shen, Yin-de Zhang, Zi-yue Shao, Nobuo Maeda
Summary: The study found that CMC-Na and PVP have different inhibition effects on the formation of CO2 hydrate, with the inhibition effects of CMC-Na decreasing with concentration and PVP slowing down the growth rate of CO2 hydrate. Under stirring conditions, CO2 hydrate grows faster.
Article
Thermodynamics
J. N. Zappey, E. E. Moore, O. Benes, J. -c. Griveau, R. J. M. Konings
Summary: In this study, the heat properties of technetium metal were measured and analyzed using various thermal measurement methods, including its superconductivity, zero-degree Debye temperature, electronic heat capacity coefficient, and the standard entropy of the superconducting state.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Pengshuai Zhang, Jixiu Deng, Xiaoyu Jiang, Liang Xu, Yu Huang, Han Sun, Mi Gao, Xianghan Wang, Yulong Gao, Kangning Fan, Lu Zhang, Shuoye Yang
Summary: In this study, the solubility of daminozide in twelve neat solvents was determined using the gravimetrical method. Various models were employed to analyze the experimental solubility, and the miscibility of daminozide in the selected solvents was discussed based on Hansen solubility parameters. The results showed that the dissolution mechanism of daminozide in all solvents was entropy-driven.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Jinju Ma, Hao Wu, Dongxu Yi, Wei Liu, Xinding Yao, Tao Li, Baozeng Ren
Summary: In this study, the solubility and compatibility of Agomelatine in different solvents were investigated through experimental and simulation methods. The results showed that Agomelatine forms more stable hydrogen bonds with alcohol solvents compared to other ester solvents. Additionally, the study analyzed the acidity and basicity characteristics of Agomelatine as well as the reasons for differences in solubility.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Angelica V. Sharapova, Marina V. Ol'khovich, Svetlana V. Blokhina
Summary: This study determined the key physico-chemical properties of cardiovascular carvedilol (CVD) in terms of solubility and distribution coefficients in modeling solvents and biphasic systems. The results showed that the solubility of CVD varied significantly depending on the solvent and pH conditions, and the dissolution process deviated from ideality in saturated solutions.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Wenxi Song, Na Wang, Mingzhe Tan, Meng Wang, Xin Huang, Ting Wang, Hongxun Hao
Summary: The solubility and thermodynamic behavior of climbazole in different solvents were investigated in this study. The results showed that solubility is influenced by temperature and solvent properties. Furthermore, the solvent effect was evaluated and the molecular mechanism behind the solubility behavior was revealed using solvation energy relationship models and molecular simulation methods.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yuqi Su, Weijie Jia, Junshuai Chen, Songtao Cao, Maogang He, Ying Zhang
Summary: This paper presents a novel measurement method based on the finite volume method (FVM) for measuring the concentration-dependent mutual diffusion coefficient D(C) in binary solution. The measurement principle was derived by integrating Fick's second law and establishing discretization equation. The method was validated through experiments and a semi-empirical correlation was built to study the temperature and concentration influences on the diffusion coefficient D.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Bo Tang, Xiaoyu Yao, Xueqiang Dong, Bowen Sheng, Yanxing Zhao, Jun Shen, Maoqiong Gong
Summary: In this study, metal-bellows variable volumetry was used to measure the saturated vapor pressures and critical parameters of R1234ze(Z) and R1336mzz(Z). New vapor pressure correlations were formulated based on the obtained data. The low uncertainties of the measured values indicate the reliability and reproducibility of the data. The results provide important thermophysical data for the use and optimization of R1234ze(Z) and R1336mzz(Z) in HTHP systems.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Vivek Pathania, Ankita Garg, Navneet Kaur, Neha
Summary: The interaction between Isoniazid and beta-cyclodextrin in solutions was investigated to understand the molecular interactions between different components. The results showed that the interaction between Isoniazid and beta-cyclodextrin affected the volume and compressibility of the solutions, and the hydration behavior of Isoniazid in the solutions was influenced by the cosolvent.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Mauricio Vega-Teijido, Marc E. Segovia, Martina Kieninger, Oscar N. Ventura
Summary: A composite chemical model, SVECV-f12, has been developed to accurately reproduce barrier heights of hydrocarbon species. The model successfully corrects systematic errors between experimental and theoretical values and is used for predicting formation enthalpies and hydrogenation/isomerization enthalpies.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Kemal Ozcan, Aylin Boztepe, Erdog an Tarcan, Cagatay Tasdemirci
Summary: In this study, the enthalpy of combustion of methane, the main component of natural gas, was measured using a reference gas calorimeter. The experimental results were compared with the values specified in ISO 6976:2016. The average enthalpy of combustion was determined as -55518.2 kJ kg-1 with an error of 0.2%.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Kouki Mekaru, Takuto Miyagi, Ayaka Mishima, Isami Uehara, Ryo Ohmura, Keita Yasuda
Summary: This study investigated the four-phase equilibrium conditions of carbon dioxide + cyclopentane double clathrate hydrate forming systems coexisting with sodium chloride aqueous solution or pure water. The results showed that the double clathrate hydrate is more thermodynamically stable than simple clathrate hydrates under a given sodium chloride concentration.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yameng Wan, Xiaoqiang Gao, Ruiai Wang, Fanfan Li, Yanxun Li, Haixia He
Summary: This study evaluated the solubility of Iminostilbene (IMB) in twelve organic solvents and found that the solubility increased with temperature and showed a specific order in different solvents. The analysis of molecular interactions and solubility parameters provided insights into the dissolution behavior. The UNIQUAC model was used to fit the solubility data, and the thermodynamic properties of the mixing and dissolution processes were thoroughly evaluated.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yinan Liu, Mingcheng Li, Chunying Zhu, Xiqun Gao, Youguang Ma
Summary: This study successfully prepared amine-based functionalized deep eutectic solvents and investigated the effects of solvent composition, water content, and temperature on the properties of the solvent through density and viscosity measurements. The results contribute to a better understanding of hydration and intermolecular interactions in deep eutectic solvents.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Correction
Thermodynamics
Deepak Parmar, Kavitha Kumari, Naveen Kumar, Manju Rani, Mustapha Sahal, Sanjeev Maken
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Ruslan N. Nagrimanov, Aliya R. Ibragimova, Boris N. Solomonov
Summary: In this study, the heats of solution of hydrocarbons and alcohols with 2-methyltetrahydrofuran are systematically analyzed. Structure-property relationships are developed to calculate the enthalpy of solvation of aliphatic alcohols in 2-methyltetrahydrofuran. Specific interactions in the alcohol-2-methyltetrahydrofuran systems are determined to better understand intermolecular interactions in 2-methyltetrahydrofuran solutions. This research provides valuable insights into the properties and energies of these interactions, facilitating the transition to more environmentally friendly solvents.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)