Article
Energy & Fuels
Zahra Sadeghtabaghi, Ahmad Reza Rabbani, Abdolhossein Hemmati-Sarapardeh
Summary: This study aims to introduce new indicators for assessing the thermal maturity of crude oil. By analyzing the asphaltene fractions of heated samples, variations in indicators such as aromaticity, average diameter of aromatic sheets, and branched index were observed. The thermal maturity of eight Iranian crude oil samples, which could not be determined using biomarker ratios, was successfully assessed using these novel indicators.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2022)
Article
Materials Science, Multidisciplinary
Andre Ebel, Olivier Marsan, Jacques Lacaze, Benoit Malard
Summary: During rapid thermal cycling in automotive exhaust manifolds, a high-silicon cast iron was tested at 800 degrees C, leading to the formation of a columnar zone at the substrate/oxide interface. Detailed analysis proposed a mechanism for the formation of this unique structure.
Article
Geosciences, Multidisciplinary
Zahra Sadeghtabaghi, Ahmad Reza Rabbani, Abdolhossein Hemmati-sarapardeh
Summary: This study analyzes asphaltene fractions of 13 crude oil samples from the Iranian sector of the Persian Gulf region using X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR). The results show that asphaltene structural parameters can be used for oil-oil correlation purposes and are in accord with previous classifications. XRD parameters, specifically plots of various structural parameters, are effective for distinguishing genetic groups, with the XRD method found to be more accurate compared to FTIR. Additionally, decision tree classification based on XRD data accurately distinguishes genetic groups and determines characteristics of each group.
ACTA GEOLOGICA SINICA-ENGLISH EDITION
(2021)
Article
Chemistry, Physical
Ritesh Verma, Ankush Chauhan, Khalid Mujasam Batoo, Muhammad Hadi, Emad H. Raslan, Rajesh Kumar, Muhammad Farzik Ijaz, Abdulaziz K. Assaifan
Summary: The synthesis of vanadium-doped BCZT ceramic oxides was reported in this paper, confirming the existence of a solubility limit of V in BCZT ceramics. Analysis revealed the influence of crystal structure and formation of oxygen vacancies on the luminescence and electrical properties of the material.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
E. Zielony, R. Szymon, A. Wierzbicka, A. Reszka, M. Sobanska, W. Pervez, Z. R. Zytkiewicz
Summary: In this study, Raman scattering and X-ray diffraction techniques were used to investigate strain and lattice vibration mechanisms in self-assembled GaN-AlxGa1-xN nanowire structures. The analysis of Raman spectra and XRD data provided insights into the chemical composition, strain, and lattice vibration mechanisms in these nanowires.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
S. Kabadou, J. Horcheni, F. Mselmi, A. Kabadou, E. Dhahri, L. Bessais
Summary: The polycrystalline ZrTe3O8:2%Er, 3%Mn material was prepared using solid-state reaction technique, and it exhibited a cubic phase structure with two types of polyhedrons. The Raman spectrum revealed the asymmetric stretching vibration of the Te-O-2-Zr bridges, and the magnetic results showed weak ferromagnetic behavior at low temperature. Additionally, the ZrTe3O8:2%Er, 3%Mn material showed significant emission in the visible and near-infrared range when excited at 490 nm, making it suitable for W-LED applications.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Vikas, M. S. Dahiya, Ashima Hooda, Satish Khasa
Summary: Transition Metal Ion (TMI) doped barium-boro-bismuthate glasses were synthesized using melt quench technique. The physical and structural behavior of the synthesized and annealed compositions were analyzed. The results showed that the density of the glass samples increased with the increase in MoO3 concentration, while the concentration of Non-Bridging Oxygen (NBO) decreased. The microstructure analysis using FESEM/EDX technique confirmed the crystalline growth in the annealed samples.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Materials Science, Ceramics
Umang Berwal, Vinod Singh, Rinku Sharma
Summary: This study investigates the optical and structural properties of pyrochlore oxide Gd2-xTbxTi2O7, and finds that the doping of rare-earth element leads to structural distortion and the production of defects. With increasing doping concentration, the particle size and spectral characteristics of the compounds change accordingly.
CERAMICS INTERNATIONAL
(2022)
Article
Materials Science, Multidisciplinary
Maxim Guc, Eduard Bailo, Robert Fonoll-Rubio, Fabien Atlan, Marcel Placidi, Philip Jackson, Dimitrios Hariskos, Xavier Alcobe, Paul Pistor, Ignacio Becerril-Romero, Alejandro Perez-Rodriguez, Francisco Ramos, Victor Izquierdo-Roca
Summary: In this study, a defective chalcopyrite phase was detected in Cu-poor compositions of CIGSe, which may play a critical role in device performance. This finding opens up possibilities for further investigation and development of chalcopyrite-based technologies.
Article
Materials Science, Multidisciplinary
Richard J. Wilbraham, Elizabeth A. Howett, Colin Boxall, David I. Hambley, Jessica K. Higgins
Summary: This paper presents a detailed study on the chemical and materials characterization of novel Simulated Spent Nuclear Fuels (SIMFuel) that replicate the state of Spent Nuclear Fuel (SNF) discharged from a UK Advanced Gas-cooled Reactor (AGR). The study evaluates the use of XPS, micro-Raman spectroscopy, and XRD in characterizing SIMFuels, and reveals the effects of lanthanide dopants on the UO2 bulk matrix. The findings suggest the presence of U(V) in the UO2 matrix as a means of charge compensation for the incorporation of Ln(III) states, and provide insights into the O/U ratios in SIMFuels.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Chemistry, Analytical
Daniel Cosano, Dolores Esquivel, Juan Manuel Roman, Fernando Lafont, Jose Rafael Ruiz Arrebola
Summary: Furnishings from a Roman grave in Carmona, southern Spain, included three potentially bead necklace and vestiges of a bag. Analysis using X-ray diffraction, infrared, and Raman spectroscopy confirmed that the beads were made from Baltic Sea amber and the bag was made from flax.
VIBRATIONAL SPECTROSCOPY
(2023)
Article
Spectroscopy
P. K. Jamshina Sanam, Midhun Shah, P. P. Pradyumnan
Summary: CuCrO2 can be tuned by Ni2+ doping to achieve emission band tuning, leading to significant changes in its optical properties.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Materials Science, Ceramics
Zhichao Song, Jun Zhang, Yan Wang, Jianping Li
Summary: SnO2 nanomaterials and SnO2/Li2SnO3 composite nanomaterials doped with different Li contents were synthesized via a one-step thermal evaporation method. The increase of Li doping resulted in changes in the structure and properties, as observed in X-ray diffraction, Raman scattering, and X-ray photoelectron spectroscopy.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Physical
Subarna Das, P. Singha, V. A. Kulbachinskii, V. G. Kytin, Gangadhar Das, S. Janaky, A. K. Deb, Sudip Mukherjee, A. Maignan, S. Hebert, R. Daou, Chandrabhas Narayana, S. Bandyopadhyay, Aritra Banerjee
Summary: This study investigates the reduction of lattice thermal conductivity (kappa(L)) in a Sb2Te3/graphite nanocomposite system, demonstrating a 40% decrease with graphite incorporation. Phonon scattering dominates the heat transport mechanism in the nanostructured composite, with graphite introducing effective scattering sources. The comprehensive study achieves a low kappa(L) value of 0.8 W m(-1)K(-1) at 300 K, making it an interesting concept for development in thermoelectric materials.
JOURNAL OF MATERIOMICS
(2021)
Article
Chemistry, Physical
Linda Klag, Abhijeet Gaur, Matthias Stehle, Sebastian Weber, Thomas L. Sheppard, Jan-Dierk Grunwaldt
Summary: This study systematically investigated the activity and selectivity of Bi-Mo-Co-Fe oxide catalysts in selective oxidation of isobutene. The results showed that the activity and selectivity of the catalysts depend on the variety and interaction of metal oxide phases, and the reducibility of Fe3+ is crucial for catalytic activity.
Article
Thermodynamics
Reza Nakhaei-Kohani, Saeid Atashrouz, Fahimeh Hadavimoghaddam, Ali Abedi, Karam Jabbour, Abdolhossein Hemmati-Sarapardeh, Ahmad Mohaddespour
Summary: This study used machine learning methods such as Deep belief network (DBN), Categorical boosting (Cat-Boost), Multivariate adaptive regression splines (MARS), and Extreme gradient boosting (XGB) to estimate the solubility of oxygen in ionic liquids (ILs). The results showed that the DBN model performed the best in the first strategy, while the XGB model performed the best in the second strategy. It was also found that pressure had the greatest effect on the solubility of oxygen in ILs.
FLUID PHASE EQUILIBRIA
(2023)
Article
Energy & Fuels
Qichao Lv, Tongke Zhou, Rong Zheng, Reza Nakhaei-Kohani, Masoud Riazi, Abdolhossein Hemmati-Sarapardeh, Junjian Li, Weibo Wang
Summary: In this study, two simple-to-use white-box models, GEP and GMDH, were developed to predict the solubility of CO2-N-2 gas mixtures in water. Tuned equations of state (EOSs) and the outcomes of the models were compared. The results showed that the tuned EOSs performed better and the GMDH model had the best predictive performance.
Article
Chemistry, Physical
Fahimeh Hadavimoghaddam, Mohammad -Reza Mohammadi, Saeid Atashrouz, Ali Bostani, Abdolhossein Hemmati-Sarapardeh, Ahmad Mohaddespour
Summary: This study used genetic programming and group method of data handling to estimate the solubility of hydrogen in alcoholic solvents. The results showed that the GMDH model provided the most accurate estimation, with pressure, temperature, and molecular weight of alcohols being the key factors influencing the solubility.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Multidisciplinary Sciences
Sajjad Ansari, Mohammad-Reza Mohammadi, Hamid Bahmaninia, Abdolhossein Hemmati-Sarapardeh, Mahin Schaffie, Saeid Norouzi-Apourvari, Mohammad Ranjbar
Summary: In this research, the adsorption of asphaltenes on magnetite, hematite, calcite, and dolomite nanoparticles in the presence and absence of water was investigated. The results showed that the nitrogen content and aromaticity of asphaltenes are the most important parameters affecting their adsorption onto the nanoparticles, with iron oxide nanoparticles having the highest adsorption capacity. This research provides important insights into the phenomenon of asphaltene adsorption and the role of iron oxide and lime nanoparticles in solving this problem.
SCIENTIFIC REPORTS
(2023)
Article
Green & Sustainable Science & Technology
Qichao Lv, Tongke Zhou, Yingting Luan, Rong Zheng, Xinshu Guo, Xiaoming Wang, Abdolhossein Hemmati-Sarapardeh
Summary: A novel green foam was prepared by combining cellulose nanofibrils (CNFs) and camellia oleifera saponin (COS), which showed stable encapsulation of CO2 and inhibited its diffusion. The foam exhibited high viscosity and stability at the pore-scale, controlling the mobility of the foam and significantly improving CO2 saturation in aquifers and oil reservoirs.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Engineering, Chemical
Mahdi Abdi-Khanghah, Arezou Jafari, Goodarz Ahmadi, Abdolhossein Hemmati-Sarapardeh
Summary: A comprehensive study on the composition variation and kinetic of upgrading reactions during microwave-assisted hydrocarbon upgrading was conducted. Experimental results showed that microwave radiation could significantly reduce asphaltene and resin content, and produce gas. Kinetic modeling revealed that at lower oil temperature, aromatic upgrading rate was higher than resin and asphaltene, while increasing oil temperature or radiation exposure time increased asphaltene and resin conversion rate. Based on the kinetic modeling results, it was found that aromatic conversion to gases and resin conversion to aromatics were the dominant mechanisms before and after 8 minutes of radiation, respectively.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2023)
Article
Engineering, Chemical
Qichao Lv, Rong Zheng, Xinshu Guo, Aydin Larestani, Fahimeh Hadavimoghaddam, Masoud Riazi, Abdolhossein Hemmati-Sarapardeh, Kai Wang, Junjian Li
Summary: The energy demand is increasing globally, while concerns about global warming and greenhouse gases have also grown. Injecting CO2 into mature oil reservoirs is a promising solution to meet the rising demand and address environmental issues. Accurate knowledge of the CO2 minimum miscibility pressure (MMP) is crucial for the successful design of such operations.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Multidisciplinary Sciences
Seyed-Pezhman Mousavi, Reza Nakhaei-Kohani, Saeid Atashrouz, Fahimeh Hadavimoghaddam, Ali Abedi, Abdolhossein Hemmati-Sarapardeh, Ahmad Mohaddespour
Summary: In this study, various machine learning techniques were used to establish models for predicting the solubility of hydrogen sulfide in ionic liquids. The XGBoost model showed higher accuracy in calculating the solubility. Temperature and pressure had the highest negative and positive impact on the solubility, respectively. The chemical structure of the ionic liquids, such as the length of the cation alkyl chain and the fluorine content in the anion, also affected the solubility.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Multidisciplinary
Haimin Zheng, Atena Mahmoudzadeh, Behnam Amiri-Ramsheh, Abdolhossein Hemmati-Sarapardeh
Summary: Carbon dioxide plays a vital role in enhanced oil recovery methods, but capturing it from flue gas and other sources is costly. In this study, machine learning algorithms were used to accurately estimate the viscosity of CO2-N2 mixtures, and the validity of the data and model applicability area were demonstrated through outlier detection.
Article
Thermodynamics
Qichao Lv, Ali Rashidi-Khaniabadi, Rong Zheng, Tongke Zhou, Mohammad-Reza Mohammadi, Abdolhossein Hemmati-Sarapardeh
Summary: In this study, five machine learning models based on Gaussian process regression (GPR) and Extreme gradient boosting (XGBoost) were developed to estimate the diffusion coefficient of CO2 in heavy crude oil/bitumen. The XGBoost model demonstrated the highest precision with an R2 of 0.9998 and an average absolute percent relative error of 0.68%. The trends analysis showed that the diffusion coefficient of CO2 in bitumen is a unimodal function of gas concentration, while temperature and pressure have increasing effects on the CO2 diffusion coefficient, which were accurately predicted by the XGBoost model.
Article
Energy & Fuels
Jafar Abdi, Tahereh Pirhoushyaran, Fahimeh Hadavimoghaddam, Seyed Ali Madani, Abdolhossein Hemmati-Sarapardeh, Seyyed Hamid Esmaeili-Faraj
Summary: Four machine learning models were implemented to predict the capacitance of EDLCs based on different properties. The results showed that the Super Learner (SL) model was the most accurate, with R2 values of 0.9781, 0.9717, and 0.9768 for training, testing, and total dataset, respectively. Among the properties, the specific surface area (SSA) was found to be the most important feature in determining the capacitance of carbon-based electrodes.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Energy & Fuels
Behnam Amiri-Ramsheh, Reza Zabihi, Abdolhossein Hemmati-Sarapardeh
Summary: Crude oil consists of various compositions and materials, including hydrocarbons, oxygen, nitrogen, sulfur, and metals. Deposition of heavy components can restrict flow paths and decrease oil production rate. Wax deposition is a crucial issue that decreases the inner diameter of pipelines, leading to pressure drop in the oil reservoir and blockage of pipelines. This research focuses on developing intelligent models using pour point temperature and degrees API as input variables to predict wax deposition, utilizing smart networks and optimization algorithms. The developed GRNN smart model showed superior performance with accurate predictions and trend analysis, indicating the impact of pour point temperature and oil degrees API on wax deposition. Outlier detection was also conducted to identify abnormal data points.
GEOENERGY SCIENCE AND ENGINEERING
(2023)
Article
Multidisciplinary Sciences
Mahdi Abdi-Khanghah, Arezou Jafari, Goodarz Ahmadi, Abdolhossein Hemmati-Sarapardeh
Summary: In this study, the effect of reaction temperature and catalysts soaking time on the concentration distribution of upgraded oil samples was investigated using the response surface methodology (RSM) approach and multi-objective optimization. Statistical modeling was performed using experimental data, and correlations for predicting the concentration of different fractions were developed. The results showed good agreement between the RSM model and experimental data, with high coefficients of determination. The optimum upgrading condition, obtained through multi-objective optimization, was found to be 378.81 degrees C and 17.31 hours, with specific compositions for each fraction.
SCIENTIFIC REPORTS
(2023)
Article
Energy & Fuels
Younes Gholamzadeh, Mohammad Sharifi, Abdolhossein Hemmati-Sarapardeh, Yousef Rafiei
Summary: Surface phenomena between liquid-liquid phases, such as interfacial tension (IFT), play a significant role in the recovery factor of hydrocarbon reservoirs. Nanotechnology offers a promising chemical approach to enhance oil recovery by reducing IFT and altering wettability. SiO2 nanoparticles have been extensively studied for their low cost and good performance in wettability alteration. However, the mechanism of IFT changes under different asphaltene instabilities and in the presence of nanoparticles remains poorly understood.
GEOENERGY SCIENCE AND ENGINEERING
(2023)
Article
Spectroscopy
Fatemeh Ahmadinouri, Parviz Parvin, Ahmad Reza Rabbani
Summary: In this paper, a modified Beer-Lambert method of laser-induced fluorescence spectroscopy is proposed for rapid identification and differentiation of crude oil fractions, which is of great significance in marine pollution research.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)