Article
Energy & Fuels
Ronald Nguele, Albert Brandt Mbouopda Poupi, Ghislain A. Mouthe Anombogo, Olalekan S. Alade, Hakim Saibi
Summary: This paper investigates the influence of asphaltene's structural parameters, including aromatic sheet diameter and aromaticity, on its solubility. The results show that aromatic sheet diameter increases with aromaticity and is inversely proportional to hydrogen bonding capability. In terms of dispersant polarity, 7C-7C interactions dominate and contribute to better asphaltene stability, while nonpolar precipitants exhibit the opposite trend. The study suggests the use of polar inhibitors to inhibit the aggregation of asphaltene with large aromatic sheet diameter.
Article
Chemistry, Physical
Qi Liu, Jingkang Wang, Hao Wu, Shuyi Zong, Yanan Zhou, Hongxun Hao, Xin Huang
Summary: In this study, solubility data of 4-methoxybenzoic acid in eight pure organic solvents were measured using a static gravimetric method. The results showed that solubility increased with temperature. Various models were used to correlate the experimental data, with the Apelblat equation providing the best results. Additionally, analyses of solubility parameters and interaction energy were conducted to investigate the solubility behavior.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Jinbo Ouyang, Lishan Liu, Limin Zhou, Zhirong Liu, Yunyun Li, Chuntao Zhang
Summary: The equilibrium mole fraction solubility of 4-chlorobenzophenone in eleven organic solvents and water was measured at different temperatures. The solubility of 4-chlorobenzophenone increased with temperature and was well correlated with several thermodynamic models. The solubility was found to be higher in less polar solvents compared to polar solvents due to the weak polarity of 4-chlorobenzophenone. The thermodynamic functions and molecular interactions were also investigated using relevant equations and molecular dynamics simulation. The results showed that the dissolution process of 4-chlorobenzophenone was endothermic and spontaneous, and the strong interaction between 4-chlorobenzophenone and ester solvents contributed to higher solubility.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Preston Griffin, Jakub Kostal
Summary: The deconstruction of lignocellulose using ionic liquids is a prime example of green chemistry in action. Computational approaches, including quantum mechanics calculations and Monte Carlo simulations, can be used to screen and design safe and selective ILs for this process. These methods ensure mechanistic relevance and safety towards aquatic species.
Article
Energy & Fuels
Hai Yuan, Azuo Nili, Jiale Chen, Haibo Ding, Han Liu, Yanjun Qiu
Summary: In this study, an improved reduced pressure column precipitation device was used to separate asphaltene subfractions in two types of road petroleum bitumen. The research showed that the solubility of asphaltene subfractions varied in different polar solvents, and as the polarity increased, the dispersion of asphaltenes decreased while hydrogen bonding and aromatic characteristics increased. These findings can explain the phase imbalance in bitumen caused by changes in asphaltene components.
Article
Energy & Fuels
Shirin Baghersaei, Babak Mokhtari, Bahram Soltani Soulgani, Nahid Pourreza, Sepideh Veiskarami
Summary: Asphaltene destabilization is a major issue in the petroleum industry, but it can be controlled using chemical compounds such as ionic liquids. In this study, three ionic liquids were synthesized and used as asphaltene dispersants. It was found that tetrabutylammonium cinnamate and tetrabutylammonium oleate were more efficient in dispersing asphaltene aggregates compared to tetrabutylammonium stearate. The results showed that the presence of carbon-carbon K bonds and higher net negative charge of the anion contribute to the stabilization of asphaltene aggregates.
Article
Energy & Fuels
Ivan Moncayo-Riascos, Monica M. Lozano, Bibian A. Hoyos, Camilo A. Franco, Masoud Riazi, Farid B. Cortes
Summary: This study investigated the rheological behavior of asphaltenes dissolved in aromatic solvents of different chemical nature through experiments and molecular dynamics simulations. Significant differences in viscosity of asphaltene solutions in different solvents were found, attributed to synergic interactions between asphaltene aggregates and solvents. The smallest aggregation size was observed in o-xylene solutions, indicating the impact of solvent type on asphaltene behavior.
Article
Chemistry, Multidisciplinary
Mingxuan Li, Yupeng Tian, Chuangye Wang, Cuiyu Jiang, Chaohe Yang, Longli Zhang
Summary: This study investigated the effect of temperature on asphaltene precipitation during crude oil production. The results revealed that the solubility of asphaltene increased with temperature and smaller particle size led to higher dispersion rate. Different asphaltenes showed different sensitivity to temperature. The aggregate structure was found to be an important factor for asphaltene stability. X-ray diffraction and molecular dynamics simulation were used to support the findings.
Article
Chemistry, Physical
Faiyaz Shakeel, Nazrul Haq, Ibrahim A. Alsarra
Summary: This study presents new equilibrium solubility data for a novel weakly soluble tyrosine kinase inhibitor in twelve different monosolvents of pharmaceutical importance, with DMSO identified as the best co-solvent for solubilization based on experimental results and predicted Hansen solubility parameters.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Faiyaz Shakeel, Nazrul Haq, Ibrahim Alsarra, Sultan Alshehri
Summary: The study estimated the solubility values of emtricitabine (ECT) in twelve different pure solvents and calculated the various Hansen solubility parameters. Results showed that polyethylene glycol-400 (PEG-400) was the most suitable solvent for the solubility of ECT compared to other solvents studied.
Correction
Chemistry, Physical
Shuai Yu
Summary: This article corrects the errors in the dissolution properties of gliclazide published in Journal of Molecular Liquids, by re-matching the curve-fit coefficients for the Wilson model and correcting the data in Table 6 in the original work.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Wei Huang, Hairong Wang, Chunrong Li, Ting Wen, Jikun Xu, Jinbo Ouyang, Chuntao Zhang
Summary: The experimental results showed that the solubility of Clozapine in eleven mono-solvents was temperature-dependent, with a positive correlation between solubility and temperature. Various thermodynamic models were used to analyze the solubility data, and the thermodynamic properties of the solute in different solvents were calculated to be endothermic and entropy-driven processes.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Chemical
Mauro Andrs Parra, Nestor Enrique Cerquera, Claudia Patricia Ortiz, Rossember Eden Cardenas-Torres, Daniel Ricardo Delgado, Maria Angeles Pena, Fleming Martinez
Summary: This research reports the equilibrium solubility of Ciprofloxacin in 13 solvents at different temperatures. The solubility of Ciprofloxacin increases as the temperature rises in all solvents. Different models were used to analyze the solubility behavior and determine the total Hildebrand solubility parameter of Ciprofloxacin.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2023)
Article
Geology
S. A. Stewart, L. A. Riddell
Summary: This study discusses how reservoirs with the geometry of structural lows trap negatively buoyant fluids and the effect of fluid flow on trapping geometry. The relatively low density difference of CO2-saturated brines results in higher tilts, while appropriately configured structural-stratigraphic traps can overcome this issue.
Article
Engineering, Chemical
Julia E. Espinoza Mejia, Xiaoli Li
Summary: Net-zero carbon emission pledges by 2050 are driving research on safe CO2 storage alternatives. Subsurface CO2 storage in depleted oil reservoirs faces challenges due to the formation of asphaltenes during CO2 injection. This study investigates the phase behavior and precipitation of asphaltenes using a novel pressure-volume-temperature cell and solid detection system. The results demonstrate multiple equilibrium phases, increasing asphaltene precipitation with CO2 fractions and decreasing precipitation with temperature, along with the reversibility of asphaltene formation under certain conditions.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)