Article
Chemistry, Physical
Man Li, Keyao Li, Lei Yang, Yan Su, Jiafei Zhao, Yongchen Song
Summary: Isotopes play an important role in studying intermolecular interactions in clathrates by replacing atoms without destroying the geometry structure, revealing previously unrecognized effects. This study provides a tool for characterizing the guest-host system and can be universally applied to similar isotopic supramolecular compounds.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Man Li, Keyao Li, Lei Yang, Yan Su, Jiafei Zhao, Yongchen Song
Summary: Isotopes are ideal for studying intermolecular interactions in clathrates. By replacing methane with deuterated methane, a strong anharmonic effect was discovered. This effect was also confirmed to exist in methane hydrate, but with lower intensity. This finding provides a tool for characterizing intermolecular behavior in guest-host systems.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Energy & Fuels
Yong He, Xuebing Zhou, Lingli Shi, Zhen Long, Jingsheng Lu, Deqing Liang
Summary: This study compared the effects of nano-silica and typical hydrate inhibitors in deep water drilling fluids. The results showed that nano-silica performed well in terms of hydrate nucleation time and could be considered as a potential synergist of hydrate inhibitors.
JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING
(2022)
Article
Engineering, Environmental
Yu-Hsuan Ho, Yau Zu Khoo, Yan-Ping Chen, Ryo Ohmura, Li-Jen Chen
Summary: This study investigates the thermodynamic and kinetic influence of polyethylenimine (PEI) on the formation of methane and carbon dioxide hydrates. It is found that PEI acts as a thermodynamic inhibitor, inhibiting the formation of hydrates. However, it has different effects on methane and carbon dioxide hydrates kinetically, inhibiting methane hydrate formation and promoting carbon dioxide hydrate formation.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Zheng Liu, Litao Chen, Zhiyuan Wang, Yonghai Gao, Jintang Wang, Changhong Yu, Baojiang Sun
Summary: This study proposes a novel method for predicting hydrate phase equilibria in natural sediments using low-field NMR technology and clarifies its inhibition mechanism from the perspective of different types of pore water. The results show that hydrates act as solid matrices in sediments and reduce pore size, and hydrate formation from bound water is more difficult than from capillary water. The differences in dissociation temperature depression are attributed to water adsorption on the mineral surface and interlayer cation hydration. The feasibility and validity of the NMR-based method in predicting hydrate phase equilibrium condition in natural sediments are verified.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Alberto Maria Gambelli, Federico Rossi
Summary: In this study, methane hydrates were analyzed for their thermodynamic and kinetic properties in the presence of fresh water and a pure quartz porous medium. The Labile Clusters Theory was used to calculate the hydrate formation rate as a first-order chemical kinetic equation, providing insights into the time dependence of the process. Pressure variations were also discussed, revealing consistent similarities with other parameters and allowing for a detailed characterization of the entire process.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Chemical
Mohd Zaki Z. Abidin, Zachary M. Aman, Eric F. May, Michael L. Johns, Xia Lou
Summary: This study investigates the synergistic effect of combining under-inhibited monoethylene glycol (MEG) with synthetic surfactants (AA) on hydrate dispersion stability. It is found that under-inhibited MEG may lead to hydrate agglomeration due to unconverted water, while AA improves the stability of hydrate dispersion. Differential scanning calorimeter is used to measure hydrate dispersion stability, showing gradual reduction in integrated area of hydrate dissociation curves during repeated cycles. Surfactants, whether natural or synthetic, can prevent water droplets from coalescing and hydrate particles from aggregating.
CHEMICAL ENGINEERING SCIENCE
(2023)
Review
Energy & Fuels
Prajwal D. Jadhav, Pratham M. Shah, Debashis Kundu
Summary: Gas hydrate naturally forms in subsea beds and transportation pipelines with favorable conditions, while ionic liquids (IL) have emerged as novel inhibitors for gas hydrate formation and dissociation. This review focuses on thermodynamic and kinetic modeling of the gas hydrate/IL system, discussing inhibition aspects and the role of ILs. Future areas for modeling gas hydrate/IL systems and potential improvements are also highlighted.
Article
Engineering, Environmental
Mucong Zi, Guozhong Wu, Jiang Wang, Daoyi Chen
Summary: This study systematically investigated the influence of light oil components and asphaltene on gas hydrate formation through experiments, as well as evaluated the performance of commercial kinetic hydrate inhibitors (KHIs) in different oil-water systems. The results showed that light oil can promote initial hydrate growth, while asphaltene, especially with light oil solvent, has an inhibition effect on gas hydrate formation.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Energy & Fuels
Hanie Mohsenzade, Shima Foroutan, Ali Dashti, Navid Ramezanian, Hadi Roosta
Summary: In this study, poly(N-vinylcaprolactam)s were synthesized as potent kinetic hydrate inhibitors, with modifications such as 3-mercaptopropionic acid and mercaptoacetic acid showing superior performance in reducing the growth rate of structure I and structure II hydrates. The synthesized polymers also outperformed commercial products in delaying induction time and increasing relative inhibition power values.
Article
Chemistry, Physical
Zhi Li, Yue Zhang, Yimao Shen, Xiaodeng Yang, Tianduo Li, Guangjin Chen
Summary: This study synthesized chitosan derivatives with different hydrophilic/hydrophobic properties and compared them with carboxymethyl chitosan derivatives to investigate their relationship with methane hydrate. The experimental results showed that the inhibitory effects of chitosan derivatives were significantly better than carboxymethyl chitosan derivatives. The length and properties of the chitosan derivatives' branched chains played a vital role in hydrate inhibition. Gas-induced agitation provided insights into the hydrate inhibition mechanism of chitosan derivatives.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Energy & Fuels
Chun-Gang Xu, Min Wang, Gang Xu, Xiao-Sen Li, Wei Zhang, Jing Cai, Zhao-Yang Chen
Summary: Research demonstrates that CO2-CP binary hydrate and CO2 hydrate are formed successively and coexist in the final hydrate in the CP-CO2 system. The formation of these two hydrates causes two pressure drops.
Article
Energy & Fuels
Yau Zu Khoo, Yu-Hsuan Ho, Kuang-Yu Chang, Yan-Ping Chen, Li-Jen Chen
Summary: This study determined the dissociation conditions of methane hydrates influenced by reline DES, urea, and choline chloride, and found that these additives demonstrated an inhibitory effect on methane hydrate formation.
Article
Energy & Fuels
Caifeng Yang, Mucong Zi, Guozhong Wu, Xue Zou, Kai Liu, Daoyi Chen
Summary: This study evaluated the influence of kinetic hydrate inhibitor (KHI) on methane - propane hydrate formation kinetics under different subcooling and concentration conditions. It proposed a "concentration effect" concept that highlighted the nonmonotonic relationship between KHI performance and concentration. Two hypotheses were proposed to explain this phenomenon, and the results showed that the concentration effect became less obvious under certain experimental conditions.
Article
Engineering, Chemical
Andrey Yu. Manakov, Konstantin E. Kuper, Arkadi N. Drobchik, Alexey K. Sagidullin, Matvei E. Semenov, Andrey S. Stoporev
Summary: This study investigates the formation of xenon hydrate in a water-in-oil emulsion using radiographic and DSC techniques. The results show that the formation process occurs in two stages, with hydrate proliferation near the emulsion-gas boundary in the first stage and slow growth throughout the sample in the second stage. The findings improve the understanding of hydrate growth kinetics in static water-in-oil emulsions.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Engineering, Chemical
Jeong-Hoon Sa, Amadeu K. Sum
Summary: The newly developed rock-flow cell is demonstrated to be a more robust testing tool for LDHI-AA qualification, providing advantages in visualization and quantification of hydrate formation and accumulation compared to the traditional rocking cell. It offers a closer representation of shear, phase dispersion, and flow regime in flowlines, making it more suitable for assessing hydrate slurry in oil/gas production systems.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Correction
Chemistry, Multidisciplinary
Fernando de Azevedo Medeiros, Iuri Soter Viana Segtovich, Frederico Wanderley Tavares, Amadeu K. Sum
Article
Energy & Fuels
Guangchun Song, Yuxing Li, Amadeu K. Sum
Summary: This study systematically analyzed the thermal properties of hydrate deposits formed on pipe walls, revealing their insulating effects and potential for blockages in oil and gas production flowlines. By conducting experiments and calculations on the hydrate deposit thickness and thermal conductivity, valuable insights were gained for managing hydrates in deadlegs and flowlines.
Editorial Material
Thermodynamics
Amadeu Sum, Jianwen Jiang
FLUID PHASE EQUILIBRIA
(2021)
Article
Engineering, Chemical
Jeong-Hoon Sa, Amadeu K. Sum
Summary: In this study, two different approaches were proposed to estimate the water activity for systems containing inhibitors: ice melting point and activity coefficient models. These methods provide a simple and reliable prediction of hydrate suppression temperatures for inhibited systems, advocating for their use over traditional methods.
Article
Engineering, Chemical
Carlos L. Bassani, Jean-Michel Herri, Ana Cameirao, Rigoberto E. M. Morales, Amadeu K. Sum
Summary: This study proposes a criterion for safely transporting gas hydrate slurries in oil-dominant flowlines. The criterion emphasizes the importance of factors such as subcooling of crystallization, water cut, mixture velocity, and oil-water interfacial tension, and introduces a simple chart for ensuring safe slurry flow. The study also discusses scaling up laboratory measurements to field conditions using a new dimensionless group, the Bassani number.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Energy & Fuels
Celina Kakitani, Daniela C. Marques, Adriana Teixeira, Leandro Valim, Moises A. Marcelino Neto, Amadeu K. Sum, Rigoberto E. M. Morales
Summary: This study focused on identifying parameters that influence hydrate formation in shut-in and restart conditions in offshore oil production. Results showed that shear rate and subcooling are key parameters, and the addition of anti-agglomerant reduces water-oil interfacial tension, promoting water/hydrate dispersion.
Article
Engineering, Chemical
Daniela C. Marques, Carlos L. Bassani, Celina Kakitani, Moises A. Marcelino Neto, Amadeu K. Sum, Rigoberto E. M. Morales
Summary: Measurements of gas hydrate deposition under sheared conditions are analyzed in this study. The experiments focus on methane hydrates and methane-ethane mixtures, examining wall deposition and gas consumption during hydrate formation, and providing mathematical insights.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Energy & Fuels
Wonjung Choi, Junghoon Mok, Jonghyuk Lee, Yohan Lee, Jaehyoung Lee, Amadeu K. Sum, Yongwon Seo
Summary: In this study, the guest exchange behaviors in hydrate-bearing sediment during depressurization-assisted replacement were experimentally investigated. The results showed that the replacement efficiency and CH4 production rate were significantly enhanced through depressurization-assisted replacement. Additionally, a larger amount of CO2 could be stored in the hydrate-bearing sediment.
Article
Energy & Fuels
Yohan Lee, Taras Y. Makogon, Amadeu K. Sum
Summary: In this study, the growth of hydrate deposits from water-saturated gas in a vertical pipe system under temperature and pressure conditions representative of a well shutdown was investigated. The study found that gas convection and water condensation affect the growth rate and morphology of hydrate deposits.
Article
Chemistry, Physical
Yong Chen, Satoshi Takeya, Amadeu K. Sum
Summary: This study reports the observation of a hidden clathrate structure, the tetragonal structure (TS-I), in gas hydrates. The TS-I forms as a cocrystal when two or more sI crystal grains with different growth directions come into contact or when the growth of an sI crystal encounters geometrical frustration. The results imply that TS-I may play an important role in the combination and/or transition between sI and sII.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Multidisciplinary Sciences
Yong Chen, Satoshi Takeya, Amadeu K. Sum
Summary: Clathrate hydrates are ordered structures stabilized by hydrophobic interactions between water and guest molecules. In this study, an alternative method is proposed to understand the complex structures of clathrate hydrates, revealing the diverse crystalline hydrogen-bonded networks that can be formed. The topological dual relations between clathrate hydrate networks and tetrahedrally close-packed structures provide insights into their nucleation, phase transition, and co-existence mechanisms. Molecular dynamics simulations are employed to explore the intrinsic structural relationships of clathrate hydrates and other unrelated ordered materials.
NATURE COMMUNICATIONS
(2023)
Article
Energy & Fuels
Yohan Lee, Taras Y. Makogon, Amadeu K. Sum
Summary: In this study, the deposition kinetics and morphology of methane hydrates were investigated at 10 MPa. It was found that non-volatile thermodynamic hydrate inhibitors (THIs) were ineffective in preventing hydrate formation near the wellhead, while volatile THIs could prevent hydrate deposition even under cold conditions. However, volatile THIs only delayed the growth of hydrate deposits in warm wellheads. The study provides insight into better management strategies for THI usage to mitigate hydrate blockage risk near the wellhead.
Article
Energy & Fuels
Ana C. G. A. Rebello, Gustavo A. B. Sandoval, Monica F. Naccache, Paulo R. de Souza Mendes, Amadeu K. Sum, Adriana Teixeira, Leandro Valim
Summary: This research investigates the formation of ethane gas hydrates in water-in-model oil emulsions. The results show that increasing the subcooling, water cut, and shear rate can reduce the induction period of the hydrates. The amount of water converted to hydrate can be estimated by analyzing the viscosity and pressure curves.
GEOENERGY SCIENCE AND ENGINEERING
(2023)
Article
Chemistry, Physical
Yi Lu, Lei Yang, Yangmin Kuang, Yongchen Song, Jiafei Zhao, Amadeu K. Sum
Summary: Nanobubbles exhibit stability and diffusion that are influenced by their internal pressure and size, impacting the solubility of methane molecules in water and ultimately affecting their stability. Smaller nanobubbles show higher mobility but are also prone to coalescence, necessitating a critical distance to prevent merging.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
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)