Article
Energy & Fuels
J. A. Rivero-Sanchez, F. Ramos-Pallares, F. F. Schoeggl, H. W. Yarranton
Summary: The study demonstrates that the modified regular solution (MRS) model can successfully predict asphaltene precipitation from heavy oil, but currently only applicable to petroleum solvents with relatively low contents of pure aromatic and cyclic components. For petroleum solvents with a higher proportion of pure aromatic and cyclic components, such as naphtha, the model fails to fully match experimental data.
Article
Chemistry, Analytical
Li-Tao Wang, Yu-Yang Hu, Lu-Hai Wang, Ya-Kun Zhu, Hua-Jie Zhang, Zi-Bin Huang, Pei-Qing Yuan
Summary: The visbreaking of Canadian oil sands bitumen and Tahe atmospheric residue with high metal and asphaltene content was studied, showing rapid condensation and metallic nickel formation in the formed coke due to the high asphaltene content and metal content. Adjustments in cutting strategy can change the group composition and metal distribution of Canadian oil sands bitumen, resulting in a viscosity reduction rate above 99%. This demonstrates potential for the utilization of ultra-inferior heavy oil.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2021)
Article
Construction & Building Technology
Jorge Pais, Caio Rubens Santos, Marina Cabette, Loic Hilliou, Jorge Ribeiro, Hainian Wang, Mohd Rosli Mohd Hasan
Summary: This paper analyzes the feasibility of using bio-oil to create bio-bitumen. Bio-oil can be added to bitumen, reducing its viscosity and acting as a bitumen extender. Two base bitumen, 0/10 and 35/50 pen bitumen, were combined with up to 10% bio-oil from biodiesel production. Characterization of the bio-bitumen and asphalt mixtures confirmed their compatibility with base bitumen and conventional binders.
ROAD MATERIALS AND PAVEMENT DESIGN
(2023)
Article
Chemistry, Physical
Nima Esmaeilian, Navid Rabiei, Maedeh Mahmoudi, Bahram Dabir
Summary: As complex hydrocarbon molecules, petroleum asphaltenes have posed challenges in crude oil production and have been a focus of research. However, fewer studies have examined the structure of asphaltenes. This study investigates the asphaltene structure of Middle East crude oil using spectroscopic and diffraction techniques, presenting complementary information from various methods. Computational chemistry (DFT) is applied to optimize the structure, showing excellent agreement with experimental data.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Chemical
Solmaz Valizadeh, Leila Naji, Mohammad Karimi, Saeedeh Sarabadani Tafreshi, Bas Heijman, Nora H. de Leeuw
Summary: The study demonstrates that double-oxidized GO membranes exhibit higher water flux and antifouling properties compared to regular GO membranes, which show a significant decrease in separation performance over time.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2022)
Article
Multidisciplinary Sciences
John P. Perdew, Adrienn Ruzsinszky, Jianwei Sun, Niraj K. Nepal, Aaron D. Kaplan
Summary: Strong correlations within a symmetry-unbroken ground-state wavefunction may manifest in approximate density functional theory as symmetry-broken spin densities or total densities, arising from soft modes of fluctuations such as spin-density or charge-density waves. An approximate density functional that breaks symmetry can be more revealing than an exact functional that does not, with examples including the stretched H-2 molecule, antiferromagnetic solids, and the static charge-density wave/Wigner crystal phase of a low-density jellium. Time-dependent density functional theory quantitatively shows that the static charge-density wave is a soft plasmon, with the frequency of a related density fluctuation dropping to zero.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Multidisciplinary Sciences
Yutaka Oya, Gota Kikugawa, Tomonaga Okabe, Toshihiro Kawakatsu
Summary: A density functional theory is used to study phase separation dynamics in dense polymer solutions influenced by crosslinking reactions. Simulations revealed two specific features: a two-stage phase separation process leading to domain structures with different length scales, and the fixation of phase-separated structure before reaching macrophase separation.
ADVANCED THEORY AND SIMULATIONS
(2022)
Article
Chemistry, Physical
Al Rey Villagracia, Hui Lin Ong, Dhan Shemaiah Bayasen, Hsin Lin, Melanie David, Nelson Arboleda
Summary: The study introduced impurities such as calcium, potassium, and magnesium into planar aluminene, finding that these interstitial dopants can affect hydrogen adsorption behavior, enhancing hydrogen storage performance. This chemisorption was validated by density functional theory, demonstrating the potential of these materials for hydrogen storage.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Engineering, Chemical
Maryam Aliabadi, Wilfried Konrad, Thomas Stegmaier, Yan Liu, Bin Zhan, Guoyong Wang, Cigdem Kaya, Goetz Gresser
Summary: In this contribution, we present a model of oil-water separation based on the movement of liquid droplets on cone-shaped structures inspired by spider silk. The forces acting on the droplets are derived from first principles of physics, and their directional movement in another liquid medium is thoroughly investigated and modeled. The resulting model predicts the droplet motion dependence on time and system defining parameters, which provides a possibility for the design and preparation of bionic structures in droplet transport phenomena.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Xuewen Zheng, Wenyuan Xu, Haoping Xu, Suxin Wu, Kai Cao
Summary: This study investigated the disaggregation ability and mechanism of three bio-rejuvenators (waste cooking oil, waste wood oil, and straw liquefied residue oil) on oxidized asphaltene nanoclusters. The results showed that waste cooking oil and waste wood oil could effectively disturb the formation of nanoclusters but were unable to restore asphaltene dispersion to the original level. Straw liquefied residue oil had an adverse effect on the disaggregation of oxidized asphaltene nanoclusters. Waste cooking oil and waste wood oil increased the activation energy, while straw liquefied residue oil decreased it.
Article
Chemistry, Multidisciplinary
Xuewen Zheng, Wenyuan Xu, Haoping Xu, Suxin Wu, Kai Cao
Summary: This study compared the disaggregation ability of three bio-rejuvenators on oxidized asphaltene nanoclusters and revealed their corresponding mechanisms. The findings showed that different rejuvenators have varying effects on the dispersion of nanoclusters, with waste cooking oil and waste wood oil effectively disaggregating the nanoclusters, while straw liquefied residue oil having an adverse effect on disaggregation.
Article
Green & Sustainable Science & Technology
M. Baritto, A. O. Oni, A. Kumar
Summary: Bitumen-derived asphaltenes have been identified as a potential precursor for carbon fiber production. This study developed data-intensive models and estimated the life cycle greenhouse gas (GHG) emissions of asphaltene-based carbon fiber (ACF). The results show that the GHG emissions of ACF are 16.2 kg CO2eq/kg CF, representing a reduction of 68.7% compared to PAN-based carbon fiber.
SUSTAINABLE MATERIALS AND TECHNOLOGIES
(2023)
Article
Polymer Science
Siti Zarina Zakuwan, Ishak Ahmad, Nurfaizah Abu Tahrim, Faizal Mohamed
Summary: In this study, a modified biomaterial based on chitosan and gelatin was fabricated, utilizing the natural non-toxic crosslinker genipin to enhance stability for eco-friendly oil-water separation. The modified membrane showed stable microporous structure and high oil-water separation efficiency.
Article
Biochemistry & Molecular Biology
Xuewen Zheng, Wenyuan Xu, Weishuai Ji, Kai Cao
Summary: This paper explores the diffusion and regeneration of bio-oil in aged bitumen using waste cooking oil, waste wood oil, and straw liquefied residue oil. By combining laboratory experiments with molecular dynamics simulation, the contact angle and wetting parameters are obtained to evaluate the wetting behavior of bio-oil. The experimental phenomena of the wetting process and the main factors driving wetting are analyzed. A permeation experiment is designed to determine the penetration of bio-oil in aged bitumen.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Xiayu Fan, Yaping Jiao, Hui Shang, Jun Li, Aijun Duan
Summary: The influence of microwave electric field on the aggregation of asphaltene in heavy oil system was investigated. The results showed that microwave electric fields play a significant role in the packing morphology of asphaltenes and other components at the micro-molecular level, leading to changes in the apparent viscosity of heavy oil system. It was found that an appropriate microwave electric field is the key to reducing the viscosity, and microwave is more effective at low temperature. Therefore, the efficient combination of microwave power and treatment temperature is critical for achieving better viscosity reduction effect.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Construction & Building Technology
Elham H. Fini, Shahrzad Hosseinnezhad, Daniel Oldham, Zachery Mclaughlin, Zia Alavi, John Harvey
INTERNATIONAL JOURNAL OF PAVEMENT ENGINEERING
(2019)
Article
Chemistry, Multidisciplinary
Alireza Samieadel, Bjarke Hogsaa, Elham H. Fini
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2019)
Article
Green & Sustainable Science & Technology
Shahrzad Hosseinnezhad, Sk Faisal Kabir, Daniel Oldham, Masoumeh Mousavi, Elham H. Fini
JOURNAL OF CLEANER PRODUCTION
(2019)
Article
Chemistry, Multidisciplinary
Elham H. Fini, Albert M. Hung, Anirban Roy
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2019)
Article
Construction & Building Technology
Mehdi Zadshir, Shahrzad Hosseinnezhad, Ellie H. Fini
CONSTRUCTION AND BUILDING MATERIALS
(2019)
Article
Construction & Building Technology
Sidharth Reddy Karnati, Daniel Oldham, Elham H. Fini, Lifeng Zhang
CONSTRUCTION AND BUILDING MATERIALS
(2019)
Article
Engineering, Chemical
Farideh Pahlavan, Shahrzad Hosseinnezhad, Alireza Samieadel, Albert Hung, Elham Fini
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2019)
Article
Chemistry, Applied
S. Suresh, Karifala Kante, Elham H. Fini, Teresa J. Bandosz
MICROPOROUS AND MESOPOROUS MATERIALS
(2019)
Article
Chemistry, Multidisciplinary
Farideh Pahlavan, Alireza Samieadel, Shuguang Deng, Elham Fini
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2019)
Article
Chemistry, Multidisciplinary
Masoumeh Mousavi, Daniel J. Oldham, Shahrzad Hosseinnezhad, Elham H. Fini
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2019)
Article
Chemistry, Multidisciplinary
Shahrzad Hosseinnezhad, Albert M. Hung, Masoumeh Mousavi, Brajendra K. Sharma, Elham Fini
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2020)
Article
Chemistry, Multidisciplinary
Masoumeh Mousavi, Elham Fini
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2020)
Article
Construction & Building Technology
Pouria Hajikarimi, Albert Onochie, Ellie H. Fini
CONSTRUCTION AND BUILDING MATERIALS
(2020)
Article
Construction & Building Technology
Alireza Samieadel, Elham H. Fini
CONSTRUCTION AND BUILDING MATERIALS
(2020)
Article
Green & Sustainable Science & Technology
Sk Faisal Kabir, Masoumeh Mousavi, Elham H. Fini
JOURNAL OF CLEANER PRODUCTION
(2020)