Article
Energy & Fuels
Ivan Moncayo-Riascos, Christian Guerrero-Benavides, Juliana Giraldo, Oscar Ramirez-Jaramillo, Fernando A. Rojas-Ruiz, Jorge A. Orrego-Ruiz, Cristiam Cundar, Wilson A. Canas-Marin, Raul Osorio Gallego
Summary: A machine learning-based classification model and a linear regression model were proposed in this study to predict the risk of asphaltene damage and the asphaltene onset pressure. Through experimental evaluation and comparison, the accuracy and effectiveness of these models were demonstrated. The integrated model contributes to predicting and preventing the decline in oil production caused by asphaltene precipitation.
Article
Energy & Fuels
Hideharu Yonebayashi, Hiroki Iwama, Katsumo Takabayashi, Yoshihiro Miyagawa, Takumi Watanabe
Summary: Postcore flood analysis on a tertiary-mode CO2 flooding test under reservoir conditions revealed uneven distribution of asphaltene mass along plug cores, with more asphaltene collected from the inlet-side core. Thermodynamic modeling proposed that purer CO2 in contact with fresh reservoir oil leads to more asphaltene deposition, causing higher concentration in inlet-side cores and lower concentration in outlet-side cores. A 3D geological transport model suggested that smaller asphaltene spheres penetrate more deeply in porous media.
Article
Energy & Fuels
Farzaneh Nazari, Mehdi Assareh, Ehsan Vahabzadeh Asbaghi
Summary: This study utilizes various methods to predict the instability conditions of Asphaltene precipitation at different stages, resulting in accurate numerical predictions for both live and degassed oil.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2021)
Article
Geosciences, Multidisciplinary
Mohammad Heidary, Kazem Fouladi Hossein Abad
Summary: The research establishes an AOP determination model through wavelet analysis of SDS data, finding a relationship between the variation in CTL entropy and AOP. Experimental results demonstrate consistency of the model across various reservoirs.
NATURAL RESOURCES RESEARCH
(2021)
Article
Energy & Fuels
Zhen Li, Ke Gong, Junfeng Wang, Yujian Hao, Youguo Yan, Jun Zhang
Summary: This study investigated the behavior of asphaltene aggregation in gas flooding using molecular dynamic simulations. The results showed that the degree of asphaltene aggregation is high in CO2 flooding and increases with decreasing temperature, providing insights into controlling asphaltene precipitation in gas flooding.
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
Engineering, Chemical
Cristina Galicia-Narciso, Enrique R. Bazua-Rueda
Summary: In this study, an alternate characterization procedure using the PC-SAFT equation of state (EOS) is proposed to represent asphaltene precipitation in various crude oils. The SARA analysis and recombined oil sample compositional analysis are used for crude oil characterization. A phased behavior optimization task is conducted, adjusting the molecular weight and binary interaction parameters to fit various properties. The proposed method closely matches the experimental data, and a linear model correlation of asphaltene-rich phase maximum is proposed.
BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Thermodynamics
Farzaneh Nazari, Mehdi Assareh
Summary: Fluid characterization is crucial for identifying the properties of crude oil and equilibrium conditions. A detailed characterization method proposed in this study effectively predicts Asphaltene instability conditions, leading to lower estimation errors and capturing the actual trend of bubble and Asphaltene onset curves. This approach proves to be reliable for predicting instability conditions.
FLUID PHASE EQUILIBRIA
(2021)
Article
Engineering, Chemical
Mahboubeh Mousavian, Mehdi Assareh
Summary: This study combines Flory-Huggins (FH) solution theory with two equations of state (Peng-Robinson (PR) and perturbed chain statistical associating fluid theory (PC-SAFT)) for modeling phase behavior and predicting asphaltene precipitation. The modeling considers the pseudo-liquid asphaltene-rich phase and uses a polydisperse (PD) approach for characterization. The accuracy of the predictions for different fluid properties is compared to literature values, showing good performance of the proposed models.
BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Engineering, Chemical
Ruiying Xiong, Jixiang Guo, Wyclif Kiyingi, Xiaohui Yang, Jianwei Zhen, Binru Li
Summary: A fast and reliable method to predict asphaltene deposition zones in oilfield wells is proposed. The study reveals that the colloidal instability index of crude oil increases during the production process, making the crude oil colloidal system more prone to instability. The Standing and Glaso models are used to determine the dissolved gas-oil ratio and predict the location of asphaltene deposition. Results show that the predicted plugging removal region by the model aligns with the observed plugging position in the field. The proposed model can guide the design of oilfield plugging removal technology and chemical dosage.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Energy & Fuels
Aisha T. Khaleel, Caleb J. Sisco, Mohammad Tavakkoli, Francisco M. Vargas
Summary: Asphaltenes, a polydisperse fraction present in crude oil, play a crucial role in deposition processes. Experimental and modeling studies show that the polydispersity of asphaltenes affects the amount of deposition.
Article
Energy & Fuels
Isah Mohammed, Dhafer Al Shehri, Mohamed Mahmoud, Muhammad Shahzad Kamal, Olalekan Saheed Alade, Abdullah Sultan, Shirish Patil
Summary: This study aims to investigate the impact of reservoir rock mineralogy on the structural characteristics of asphaltene molecules and how these characteristics affect remediation efforts. The results show that while the composition of asphaltene samples from different crude oil samples is similar, their structural makeup varies. Additionally, rock mineralogy has an influence on the structural characteristics of asphaltene, which in turn impacts the effectiveness of remediation fluids in clearing up asphaltene deposits.
Article
Chemistry, Multidisciplinary
Gholamreza Fallahnejad, Mohammad Reza Rasaei, Alireza Bahramian, Mohammad Hossein Ghazanfari
Summary: The asphaltene problem involves two steps: precipitation and deposition, where deposition is influenced by factors such as surface properties, phase behavior, rheology, and flow patterns. Understanding flow models is critical, and the PC-SAFT equation is shown to be more accurate than solid models in commercial software.
Article
Engineering, Chemical
Esau A. Hernandez, Carlos Lira-Galeana, Jorge Ancheyta
Summary: This study analyzes the performance of various models in predicting asphaltene precipitation and compares them with literature experimental data. The results show the need for further model development to cover a wider range of pressure, temperature, and composition conditions.
Article
Thermodynamics
Wilson A. Canas-Marin, Bibian A. Hoyos, Doris L. Gonzalez
Summary: In this work, a hard-core version of the PC-SAFT EoS was proposed and applied to predict asphaltene onset pressures, bubble points, and precipitated amounts for 18 real petroleum reservoir fluids. The results showed that the hard-core PC-SAFT model predicted lower onset pressures compared to other tested versions, and the asphaltene molecular weight used in the model directly affected the predicted onset pressures and precipitated amounts.
FLUID PHASE EQUILIBRIA
(2022)
Article
Engineering, Chemical
Saber Mohammadi, Fariborz Rashidi, Sayed Ali Mousavi-Dehghani, Mohammad-Hossein Ghazanfari
PARTICULATE SCIENCE AND TECHNOLOGY
(2020)
Article
Energy & Fuels
Amir Hosein Saeedi Dehaghani, Bahareh Keshavarz, Seyed Ali Mousavi Dehghani
ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS
(2019)
Article
Energy & Fuels
Sanaz Tajik, Abbas Shahrabadi, Alimorad Rashidi
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2019)
Article
Geochemistry & Geophysics
Ali Shabani, Azim Kalantariasl, Saeed Abbasi, Abbas Shahrabadi, Hamed Aghaei
APPLIED GEOCHEMISTRY
(2019)
Article
Engineering, Chemical
P. Babakhani Dehkordi, L. P. M. Colombo, E. Mohammadian, A. Shahrabadi, A. Azdarpour
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2019)
Article
Energy & Fuels
Nasser M. Al Hinai, Matthew B. Myers, Ali Mousavi Dehghani, Colin D. Wood, R. Valdez, Fayang Jin, Quan Xie, A. Saeedi
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2019)
Article
Thermodynamics
Mohammad Massah, Ehsan Khamehchi, Seyyed Ali Mousavi-Dehghani, Bahram Dabir, Hamid Naderan Tahan
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2020)
Article
Energy & Fuels
Seyed Abdollah Shojaei, Shahriar Osfouri, Reza Azin, Seyed Ali Mousavi Dehghani
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2020)
Article
Chemistry, Physical
Fatemeh Mahmoudi Alemi, Seyed Ali Mousavi Dehghani, Alimorad Rashidi, Negahdar Hosseinpour, Saber Mohammadi
Summary: The study showed that the synthesized MWCNT-Fe2O3 nanocomposite can effectively control the precipitation and aggregation of asphaltene, improving the stability and flow properties of crude oil.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Energy & Fuels
Fatemeh Mahmoudi Alemi, Seyed Ali Mousavi Dehghani, Ali Rashidi, Negahdar Hosseinpour, Saber Mohammadi
Summary: This study synthesized Fe2O3 and functionalized SiO2 nanoparticles to investigate their effects on asphaltene precipitation and aggregation in live oils. The results showed that Fe2O3 nanoparticles better controlled asphaltene precipitation compared to F-SiO2, leading to increased stability and reduced asphaltene structure size. TEM images confirmed these results and indicated an increase in aromatic sheet interlayer spacing.
Article
Chemistry, Physical
Fatemeh Mahmoudi Alemi, Seyed Ali Mousavi Dehghani, Alimorad Rashidi, Negahdar Hosseinpour, Saber Mohammadi
Summary: Synthesized single-walled carbon nanotubes (SWCNTs) effectively delay asphaltene precipitation and reduce the size distribution of asphaltene aggregates. The highest dispersion efficiency value of 93.5% is achieved at a concentration of 100 ppm. The large surface area of SWCNTs and strong pi-pi interactions with asphaltenes contribute to their efficient control of asphaltene precipitation/aggregation.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Environmental
Fatemeh Mahmoudi Alemi, Saber Mohammadi, Seyed Ali Mousavi Dehghani, Alimorad Rashidi, Negahdar Hosseinpour, Abdolvahab Seif
Summary: In this study, a new class of carbon nanoparticles (CNPs) was synthesized to inhibit/disperse asphaltene precipitation and aggregation in unstable crude oil. Experimental and theoretical results demonstrate that CNPs have high specific surface area and strong chemisorption capability, making them an effective asphaltene handling strategy.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Environmental Sciences
Seyed Hossein Hashemi, Seyed Ali Mousavi Dehghani, Seyed Ehsan Samimi, Mahmood Dinmohammad, Seyed Abdolrasoul Hashemi
MODELING EARTH SYSTEMS AND ENVIRONMENT
(2020)
Article
Energy & Fuels
Ali Shabani, Hamid Reza Jahangiri, Abbas Shahrabadi
JOURNAL OF PETROLEUM EXPLORATION AND PRODUCTION TECHNOLOGY
(2020)
Article
Energy & Fuels
Mahboobeh Kiani, Shahriar Osfouri, Reza Azin, Seyed Ail Mousavi Dehghani
JOURNAL OF PETROLEUM EXPLORATION AND PRODUCTION TECHNOLOGY
(2019)
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)