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Implementation of contact line motion based on the phase-field lattice Boltzmann method

Physical Review E 2024年第4期109卷 045307-045307页

作者： Long Ju Zhaoli Guo Bicheng Yan Shuyu Sun Computational Transport Phenomena Laboratory (CTPL) King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia Institute of Interdisciplinary Research for Mathematics and Applied Science Huazhong University of Science and Technology Wuhan 430074 China Energy Resource and Petroleum Engineering Program Physical Science and Engineering Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia

This paper proposes a strategy to implement the free-energy-based wetting boundary condition within the phase-field lattice Boltzmann method. The greatest advantage of the proposed method is that the implementation of contact line motion can be significantly simplified while still maintaining good accuracy. For this purpose, the liquid-solid free energy is treated as a part of the chemical potential instead of the boundary condition, thus avoiding complicated interpolations with irregular geometries. Several numerical testing cases, including droplet spreading processes on the idea flat, inclined, and curved boundaries, are conducted, and the results demonstrate that the proposed method has good ability and satisfactory accuracy to simulate contact line motions.

关键词： Contact line dynamics Wetting Lattice-Boltzmann methods

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Phase and Microstructural Analysis of Novel Refractory High Entropy Alloy Y-Doped Al-Hf-Nb-Ti-V System

SSRN

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SSRN 2023年

作者： Muhammad, Fadhli Basuki, Eddy A. Korda, Akhmad A. Zulhan, Zulfiadi Prajitno, Djoko H. Doctorate Program of Mining Engineering Faculty of Mining and Petroleum Engineering Institut Teknologi Bandung Jl. Ganesha 10 Bandung Jawa Barat40132 Indonesia Department of Metallurgical Engineering Faculty of Mining and Petroleum Engineering Institut Teknologi Bandung Jl. Ganesha 10 Bandung Jawa Barat40132 Indonesia Nuclear Research Center National Research and Innovation Agency Jl. Tamansari 71 Bandung Jawa Barat40132 Indonesia

A new Y-doped Al-Hf-Nb-Ti-V refractory high-entropy alloy (RHEA) system was developed as a candidate material for high-temperature structural applications. Microstructural investigation and X-ray diffraction characterization indicated that the as-cast alloy exhibits a non-homogeneous microstructure with distinct dendritic and interdendritic regions. The addition of equimolar ratio of Al to the HfNbTiV RHEA resulted in an amorphous phase and a small amount of intermetallic phase formation. The enthalpy calculation revealed that this alloy has a mixing enthalpy of -16.2 ***-1 and a delta parameter of 5.8%, which are considerably lower negative and lower, respectively, compared with the conventional high entropy alloys. The addition of minor Y element slightly increases the value of [[EQUATION]] and δ which suppresses the occurrence of the amorphous phase and contributes to the intermetallic compound formation by increasing the amount of strongly chemically attracted atomic pairs (SCAAPs) Al-Hf and Al-Y beyond a critical value. © 2023, The Authors. All rights reserved.

关键词： Entropy

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Atomic Ionization: sd energy imbalance and Perdew-Zunger self-interaction correction energy penalty in 3d atoms

arXiv

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arXiv 2024年

作者： Maniar, Rohan Shukla, Priyanka B. Johnson, J. Karl Jackson, Koblar A. Perdew, John P. Department of Physics and Engineering Physics Tulane University New OrleansLA70118 United States Department of Chemical & Petroleum Engineering University of Pittsburgh PittsburghPA15261 United States Physics Department Science of Advanced Materials Program Central Michigan University Mount PleasantMI48859 United States

To accurately describe the energetics of transition metal systems, density functional approximations (DFAs) must provide a balanced description of s- and d- electrons. One measure of this is the sd transfer error, which has previously been defined as E(3dn−14s1)−E(3dn−24s2). Theoretical concerns have been raised about this definition due to its evaluation of excited-state energies using ground-state DFAs. A more serious concern appears to be strong correlation in the 4s2 configuration. Here we define a ground-state measure of the sd energy imbalance, based on the errors of s- and d-electron second ionization energies of the 3d atoms, that effectively circumvents the aforementioned problems. We find an improved performance as we move from LSDA to PBE to r2SCAN for first-row transition metal atoms. However, we find large (∼ 2 eV) ground-state sd energy imbalances when applying a Perdew-Zunger 1981 self-interaction correction. This is attributed to an "energy penalty" associated with the noded 3d orbitals. A local scaling of the self-interaction correction to LSDA results in a balance of s- and d-errors. Copyright © 2024, The Authors. All rights reserved.

关键词： Atoms

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Characterization of Binder, Mastic, and Fam Film Thickness within Asphalt Concrete Mixtures

SSRN

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SSRN 2023年

作者： de Souza, Thiago Delgado Enríquez-León, Alexis Jair Mesquita, Andressa Rosa da Fonseca Martins Gomes, Otávio Ulsen, Carina Underwood, Benjamin Shane Aragão, Francisco Thiago Sacramento Civil Engineering Program - COPPE Federal University of Rio de Janeiro Rio de Janeiro21941-596 Brazil Transportation Engineering Program - COPPE Federal University of Rio de Janeiro Rio de Janeiro21941-596 Brazil Center for Mineral Technology - CETEM Rio de Janeiro21941-908 Brazil Mining and Petroleum Engineering Program - POLI-USP Universidade of São Paulo São Paulo05508-010 Brazil Civil Construction and Environmental Engineering Program North Carolina State University Raleigh27695-7908 United States

Aggregate particles within an asphalt mixture are coated in a thin film of binder. Several studies and even mix design procedures have been based on an implied correlation between the binder film thickness (BFT) and the mechanical properties of these mixtures. Those studies generally define the BFT based on a predictive equation linked to one or more theoretical considerations, but without direct experimental determination of the BFT. However, recent developments of powerful scanning electron microscopes (SEMs) and digital image processing (DIP) techniques allow one to perform detailed analysis of microstructural images and thus directly measure the BFT value. This paper presents an analysis of BFT and mastic film thickness (MFT) within asphalt concrete (AC) mixtures using high-resolution SEM images and DIP. Based on this methodology, the measured mean BFT and MFT values ranged from 5.6 µm to 10.8 µm, and from 20.8 µm to 28.2 µm, respectively. Additionally, a BFT analysis considering fine aggregate matrix (FAM) phase within the ACs was pursued. A criterion to obtain FAM BFT is proposed and it can be useful in volumetric FAM mix design and sample fabrication. © 2023, The Authors. All rights reserved.

关键词： Film thickness

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Emerging magnetic MXenes in water treatment, desalination, and resource recovery: Advances, challenges, and prospects

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Separation and Purification Technology 2025年 372卷

作者： Ihsanullah, I. Bilal, Muhammad Sajid, Muhammad Chemical and Water Desalination Engineering Program College of Engineering University of Sharjah Sharjah27272 United Arab Emirates Department of Chemical and Biological Engineering Monash University ClaytonVIC3800 Australia Applied Research Center for Environment and Marine Studies Research Institute King Fahd University of Petroleum and Minerals Dhahran31261 Saudi Arabia

MXenes are a class of two-dimensional (2D) transition metal carbides, nitrides, and carbonitrides that have gained significant attention due to their outstanding physicochemical properties. Among their derivatives, magnetic MXene-based composites have emerged as promising candidates for a wide range of environmental applications. Their effectiveness is attributed to features such as high specific surface area, tunable interlayer spacing and surface chemistry, abundant active sites, and ease of functionalization into magnetic nanostructures. This review critically assesses the potential of magnetic MXenes in environmental remediation, with particular emphasis on water treatment, desalination, and resource recovery. The applications discussed include the removal of hazardous dyes, heavy metals, radionuclides, nutrients, and pharmaceuticals, along with the catalytic degradation of persistent organic pollutants. The potential of these materials for oil recovery and desalination is also examined. Key factors such as regeneration capability, long-term stability, and adsorption selectivity are analyzed in depth. Special attention is given to their performance in real water matrices, underscoring their applicability in practical scenarios. Furthermore, this review summarizes reported studies on life cycle assessment (LCA), environmental impacts, and toxicity to provide a comprehensive perspective on the sustainable use of MXenes. Finally, existing challenges associated with the use of magnetic MXenes are highlighted, along with proposed strategies to address them. © 2025 Elsevier B.V.

关键词： Surface chemistry

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Carbon Capture and Storage in Brazil and Systematic Review of Criteria for Prospecting Potential Areas

Carbon Capture and Storage in Brazil and Systematic Review o...

引用

2023 Offshore Technology Conference Brasil, OTCB 2023

作者： Lourenço, M.C.M. Perez, Y.A.R. Rodrigues, T.C. Rodrigues, M.A.F. Antunes, A.F. Filho, L.S. Montalvão, L.C. Eiras, J.F. Lima, C. Medeiros, G.C. Jacinto, M.V.G. Sátiro, L.S.P. Department of Petroleum Engineering Federal University of Rio Grande do Norte RN Natal Brazil Post-graduation Program in Geodynamic and Geophysics Federal University of Rio Grande do Norte RN Natal Brazil Geowellex RN Macaíba Brazil Department of Geology Federal University of Rio Grande do Norte RN Natal Brazil Repsol Sinopec Brasil RJ Rio de Janeiro Brazil

ISBN: (纸本)9781959025023

This work aims to present the current scenario of Carbon Capture and Storage (CCS) in Brazil and fundamental criteria for prospecting potential areas. It reviews and applies the existing scientific literature used worldwide for CCS projects. By integrating information, we expect to provide comprehensive insights into CCS in Brazil and outline methods and criteria for screening and select areas in Brazilian sedimentary basins. This work is based on applied research methodologies. A survey was conducted to examine the current Brazilian context, including the potential sectors for CCS in the country and ongoing developments. Additionally, several previous works on projects worldwide were reviewed to formulate criteria for assessing the prospectivity of CO2 storage areas, which can be applied at scale. By combining Brazil's current status and CCS methodological references, we integrated information to propose an applicable site screening and selection criteria for Brazil. Furthermore, we elucidated some of the potential and challenges that the country faces. In Brazil, energy and industry are the principal sectors for decarbonization with CCS, including the oil and gas sector, bioenergy, thermal power plants, refineries, and steel, cement and chemical industries. Ongoing research is focused on specific storage sites and other CCS technologies. Currently, Brazil's CO2-EOR in the Pre-salt fields is globally recognized. Research is also being conducted on saline aquifers in the Paraná Basin to use CCS with bioenergy (BECCS). Additionally, there is a pilot project under development in the Parecis Basin. Despite these advancements, there have been no few approaches concerning methodologies and criteria for prospecting areas for permanent storage in Brazil. In this study, we propose a methodology for selecting and developing qualified CCS sites, which involves regional analysis, site screening, site selection, and site characterization. Considering Brazil's early stages in CC

关键词： Carbon dioxide

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Geotechnical Investigations in Lignite Open pit Mine Using Electrical Tomography (2D&3D) and Seismic Reflection Methods 11

Geotechnical Investigations in Lignite Open pit Mine Using E...

引用

11th Congress of the Balkan Geophysical Society, BGS 2021

作者： Andronikidis, N. Kritikakis, G. Vafidis, A. Hamdan, H. Agioutantis, Z. Steiakakis, C. Economou, N. Technical University of Crete School of Mineral Resources Engineering Applied Geophysics lab Greece University of Sharjah Petroleum Geosciences and Remote Sensing Program Department of Applied Physics and Astronomy United Arab Emirates University of Kentucky Mining Engineering GEOSYSTA Corporation

ISBN: (纸本)9789462823938

The application of seismic reflection and electrical resistivity methods (2D and 3D) in geotechnical investigations is explored through a case study in Northern Greece. These methods were employed to Mavropigi lignite open pit mine and the surveyed area is the next step in mining expansion. The main aim of the geophysical survey was to map the bedrock, the contact between the Neogene and Schist/Carbonate formations as well as to estimate the thickness of the carbonate rocks on top of the Schist formations in order to study the stability of the final mine slopes. These geophysical data provides a geotechnical model which will be used in mine planning from Greek Public Power Corporation. © 2021 11th Congress of the Balkan Geophysical Society, BGS 2021. All rights reserved.

关键词： Lignite

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Developments in the utilization of heterogeneous catalysts for biodiesel generation: An update on recent advancements

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Journal of the Taiwan Institute of Chemical Engineers 2024年

作者： Parameshwar, Sai Agnihotri, Mayank Bhan, Uday Nangan, Senthilkumar Verma, Deepak Rajendran, Saravanan Jain, Siddharth Department of Petroleum Engineering and Earth Sciences UPES Dehradun248007 India Metallurgy and Materials Science Research Institute Chulalongkorn University Bangkok10330 Thailand International Graduate Program of Nanoscience and Technology Chulalongkorn University Bangkok10330 Thailand Instituto de Alta Investigacion Universidad de Tarapacá Arica1000000 Chile Department of Mechanical Engineering UPES Dehradun248007 India

Background: Biodiesel is one of the ecofriendly energy sources that can be generated from edible, non-edible, waste, and algae feedstocks. Over time, the utilization of different kinds of heterogeneous catalysts has been proven critical in the manufacture of biodiesel from diverse feedstocks. They exhibit better reusability and easier separation compared to the homogenous catalysts. Methods: In this work, the advances in the use of heterogeneous catalysts for biodiesel production from 2018 to 2024 have been evaluated. The process parameters like alcohol to oil molar ratio (M/O), catalyst concentration (%), reaction time and reaction temperature (RT), reusability of the catalyst, etc. are evaluated. The catalysts derived from waste materials through the calcination process are an efficient and cost-effective substitute for conventional catalysts. Nanomaterials, due to their small size and higher aspect ratio, provide very high efficiency and reusability in catalytic reactions. Significant findings: The heterogeneous catalysts are also found to be highly reusable for multiple cycles and the leaching of active sites, clogging of pore spaces of catalyst, etc. are the major causes of catalyst deactivation. Magnetic heterogeneous catalysts have shown good biodiesel yields and high reusability. Also, naturally occurring calcium oxide and potassium compounds present in waste derived catalysts helped to give high biodiesel yields. The future direction in the path of development of heterogeneous catalysts from cheap, abundant, and environmentally benign materials. The synthesis of heterogeneous catalysts from waste materials addresses the issue of waste disposal and converting solid waste to value-added catalysts. The life cycle assessment studies, encompassing heterogeneous catalyst synthesis, feedstock oil extraction, biodiesel production, and fuel combustion may give valuable input on the environmental impact of the entire process. © 2024

关键词： Potassium compounds

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Updated Geologic Structures and Stratigraphy of the Darajat Geothermal Field in Indonesia 9

Updated Geologic Structures and Stratigraphy of the Darajat ...

引用

9th ITB International Geothermal Workshop 2020, IIGW 2020

作者： Intani, Rindu Grahabhakti Wicaksono, Satrio Golla, Glenn Suryantini Geothermal Engineering Master's Program Faculty of Mining and Petroleum Engineering Institut Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia Star Energy Geothermal Salak Ltd Sentral Senayan 2 Building Central Jakarta India

The main objectives of the evaluation of the geologic structures and stratigraphy of the Darajat geothermal field are to refine and update both the Darajat conceptual and geologic1 models. Re-interpretation of the borehole image logs, additional petrographic analysis of rock cuttings and cores, integration of subsurface data from the wells drilled during 2009-2011, and recent resource observations allowed definition of at least seven (7) lithologic units based on the dominant rock type. The updated stratigraphy of the reservoir was correlated with the surface rocks to develop a volcano-stratigraphy and geochronology of the Darajat geothermal system. The andesite-intrusive complex, which comprises the Darajat geothermal reservoir and the hypothesized sub-volcanic portion of an earlier liquid-dominated geothermal system, belongs to the Kendang Volcanics and makes up subsurface Units A and B. The interpretation of the major volcano-tectonic features and structures at Darajat was refined through the analysis of the Light Detection and Ranging (LIDAR) data/imagery that was acquired in 2014. The LIDAR Digital Elevation Model (DEM) hill-shade map shows several conspicuous volcanic vents in Puncak Cae, Gagak and Kiamis. The prominent Kendang Fault, which extends to the Kamojang Field in the northeast, might be a section of the ring structure of an earlier volcano, herein, called Kendang. Wellbore image data from several wells suggest that the Kendang Fault may dip at 70° eastward. Although needing further substantiation, we hypothesize that the decompression event that preceded the development of the steam-dominated geothermal reservoir at present might be related to the eruption of the Kendang volcano. The Gagak Fault is another prominent surface structure and believed to form during the eruption of the resurgent Gagak volcano after the eruption of the older Kendang volcano. © Published under licence by IOP Publishing Ltd.

关键词： Stratigraphy

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Study of Increase Geothermal Well Production Rate by Downhole Pump Installation for Utilization in Power Plant 9

Study of Increase Geothermal Well Production Rate by Downhol...

引用

9th ITB International Geothermal Workshop 2020, IIGW 2020

作者： Prabowo, Ricky Saptadji, Nenny Miryani Maulana, Dimas Taha Nusiaputra, Yodha Yudhistra Geothermal Engineering Master's Program Faculty of Mining and Petroleum Engineering Institut Teknologi Bandung Jl. Ganesha 10 Bandung40132 Indonesia Jl. Trunojoyo no. 135 Kebayoran Baru Jakarta Selatan DKI Jakarta Indonesia

A geothermal well is one of the main components in the geothermal field. The well is essential for geothermal utilization and connecting between reservoir and surface. Based on the condition to discharge fluid toward the surface, wells are categorized as self-discharge wells (able to discharge naturally to surface) and non-self-discharge wells (not able to discharge naturally to surface). For wells categorized as non-self-discharge with low pressure and low-medium temperature, an artificial method needs to be implemented, which is the use of downhole pump technology, namely electrical submersible pump (ESP) or line shaft pump (LSP). This condition occurs in well in Tulehu geothermal field (X-1). Downhole pump technology has been developed in several geothermal fields in other countries and has been proven to increase geothermal well production. The purpose of this research is to determine the appropriate engineering design for the implementation of a downhole pump in X-1 well and the net power output that can be produced. The research method was carried out analytically from evaluating and analyzing well-testing results, including completion test and production test to determine the condition and characteristics of the well, performing technical design calculation for downhole pump implementation, and calculating the binary cycle analysis of power plant obtain net power generated. Optimum pump setting depth in 600 meters depth that can produce mass flow rate 48.28 kg/s, and optimum model is ORC power plant with Butane working fluid that can produce Net Power Output 1.382 MW for ORC power plant model combined with ESP-2. © Published under licence by IOP Publishing Ltd.

关键词： Well testing

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