Browsing GPC Research by Title
Now showing items 323-342 of 494
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Molecular Design of Novel Chemicals for Iron Sulfide Scale Removal
( Hindawi Limited , 2021 , Article)Scale deposition is a pertinent challenge in the oil and gas industry. Scales formed from iron sulfide are one of the troublous scales, particularly pyrite. Moreover, the use of biodegradable environmentally friendly ... -
Molecular dynamics and combined docking studies for the identification of Zaire ebola virus inhibitors
( Taylor and Francis Ltd. , 2019 , Article)Ebola virus (EBOV) is a lethal human pathogen with a risk of global spread of its zoonotic infections, and Ebolavirus Zaire specifically has the highest fatality rate amongst other species. There is a need for continuous ... -
Molecular dynamics of CH4/CO2 on calcite for enhancing gas recovery
( John Wiley and Sons Inc , 2022 , Article)The effect of temperature and pressure on the adsorption of CO2 and CH4 gases on calcite (104) has been studied by means of classical molecular dynamics. The results show that carbon dioxide greatly improves methane ... -
Molecular Modeling Study toward Development of H2S-Free Removal of Iron Sulfide Scale from Oil and Gas Wells
( American Chemical Society , 2018 , Article)A common problem that faces the oil and gas industry is the formation of iron sulfide scale in various stages of production. Recently an effective chemical formulation was proposed to remove all types of iron sulfide scales ... -
Molecular simulations in upstream applications
( Elsevier , 2023 , Book chapter)The development of powerful computers and molecular simulation has allowed researchers to use them to get useful information about electronic properties related to chemical and physical interactions at the molecular level. ... -
Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex
( American Institute of Physics Inc. , 2016 , Article)The coupled quantum dynamics of excitonic and vibrational degrees of freedom is investigated for high-dimensional models of the Fenna-Matthews-Olson complex. This includes a seven- and an eight-site model with 518 and 592 ... -
Multifunctional self-healing polymeric nanocomposite coatings for corrosion inhibition of steel
( Elsevier B.V. , 2019 , Article)The present work focuses on the self-healing and corrosion behavior of novel epoxy based coatings containing epoxy monomer (EM) and dodecylamine (DDA) as self-healing and corrosion inhibitor, respectively. The coating ... -
Multilayer-MCTDH approach to the energy transfer dynamics in the LH2 antenna complex
( Institute of Physics Publishing , 2017 , Article)The multilayer multiconfiguration time-dependent Hartree method is used to study the coupled exciton–vibrational dynamics in a high-dimensional nonameric model of the LH2 antenna complex of purple bacteria. The exciton–vibrational ... -
Nanocomposite material-based catalyst, adsorbent, and membranes for petroleum wastewater treatment
( Elsevier , 2022 , Book chapter)The advent of nanotechnology has provided an interesting approach in terms of the application of nanocomposite materials in different sectors of water and wastewater treatment. Various works have demonstrated the significant ... -
Nanoparticles functionalized ceramic membranes: fabrication, surface modification, and performance
( Springer Science and Business Media Deutschland GmbH , 2021 , Article Review)Membrane technologies are used intensively for desalination and wastewater treatment. Water filtration using ceramic membranes exhibited high performance compared with polymeric membranes due to various properties such as ... -
Nanosheet synthesis of mixed Co3O4/CuO via combustion method for methanol oxidation and carbon dioxide reduction
( American Chemical Society , 2020 , Article)This paper represents a study of mixed Co3O4/CuO nanosheet (NS) synthesis via solution combustion synthesis for oxidation of methanol and carbon dioxide (CO2) conversion. The mixed oxide NS of Co3O4/CuO is a hybrid structure ... -
The need for speed - optimal CO<inf>2</inf> hydrogenation processes selection via mixed integer linear programming
( Elsevier Ltd , 2022 , Article)The race towards mitigating carbon emissions led to the development of countless processes, product chemicals, and catalysts for carbon capture, storage, and utilization. The abundance of data and potential pathways for ... -
Ni-based nano-catalysts for the dry reforming of methane
( Elsevier B.V. , 2019 , Article)Development of a highly efficient and coke-resistant, nickel based nano-catalyst in the carbon dioxide reformation of methane is reported. The alumina supported Ni-based catalyst with a metal loading of 5wt% was prepared ... -
Nitrogenization of Biomass-Derived Porous Carbon Microtubes Promotes Capacitive Deionization Performance
( Chemical Society of Japan , 2021 , Article)Nitrogenization of porous carbon provides an effective methodology to promote capacitive deionization (CDI) performance. Exploring a new class of nitrogen-doped porous carbons from waste biomass over commercially available ... -
Non-Metal-Doped Porous Carbon Nitride Nanostructures for Photocatalytic Green Hydrogen Production
( MDPI , 2022 , Article Review)Photocatalytic green hydrogen (H2) production through water electrolysis is deemed as green, efficient, and renewable fuel or energy carrier due to its great energy density and zero greenhouse emissions. However, developing ... -
Novel Fe0 Embedded Alginate Beads and Coated with CuO-Fe3O4 as a Sustainable Catalyst for Photo-Fenton Degradation of Oxytetracycline in Wastewater
( Institute for Ionics , 2023 , Article)A novel catalyst made of zero-valent iron (Fe0) well dispersed and immobilized on alginate beads and coated using CuO-Fe3O4 (CuO-Fe3O4-Fe0/Abs) was designed and fabricated as a sustainable catalyst to degrade oxytetracycline ... -
Novel fluorinated surfactants for enhanced oil recovery in carbonate reservoirs
( Wiley-Liss Inc. , 2016 , Article)Novel surfactant‐polymer (SP) formulations containing fluorinated amphoteric surfactant (surfactant‐A) and fluorinated anionic surfactant (surfactant‐B) with partially hydrolyzed polyacrylamide (HPAM) were evaluated for ... -
Novel Graphene-Zinc Iron Oxide Composite to Enhance Ultrafiltration Membrane Performance for Water Treatment and Desalination
( Hamad bin Khalifa University Press (HBKU Press) , 2016 , Conference Paper)The main target of membrane technologies such as the Ultrafiltration (UF), Nanofiltration (NF) and Reverse osmosis (RO) is to produce better filtration and separation of organic and inorganic substance from water as well ... -
A novel hydrogen liquefaction process using dual mixed cryogenic refrigeration system: Energy, exergy, and economic analysis
( Elsevier , 2024 , Article)In conventional hydrogen liquefaction plants, the liquefaction process consumes high portion of about 30 % of the liquid hydrogen (LH2) energy content. In addition, existing LH2 technology uses pure or single mixed ... -
Novel methodology to couple decline curve analysis with CFD reservoir simulations for complex shale gas reservoirs
( John Wiley and Sons Inc , 2024 , Article)Shale reservoirs are highly complex and are difficult to study using conventional reservoir simulation tools. This study introduces a novel methodology for estimating production from complex shale gas reservoirs by coupling ...