Articles with "experimental computational" as a keyword



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Palladium-Catalyzed Insertion of Ethylene and 1,1-Disubstituted Difunctional Olefins: An Experimental and Computational Study.

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Published in 2020 at "ChemPlusChem"

DOI: 10.1002/cplu.202000309

Abstract: Insertion or coordination copolymerization of ethylene with di-substituted olefins is challenging and the choice of di-substituted mono-functional olefin versus di-substituted di-functional olefin (DDO) appears to be decisive. Here we show that DDO-inserted species are amenable… read more here.

Keywords: ethylene; insertion polymerization; experimental computational; insertion ... See more keywords
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Development of Halofluorochromic Polymer Nanoassemblies for the Potential Detection of Liver Metastatic Colorectal Cancer Tumors Using Experimental and Computational Approaches

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Published in 2017 at "Pharmaceutical Research"

DOI: 10.1007/s11095-017-2245-9

Abstract: PurposeTo develop polymer nanoassemblies (PNAs) modified with halofluorochromic dyes to allow for the detection of liver metastatic colorectal cancer (CRC) to improve therapeutic outcomes.MethodsWe combine experimental and computational approaches to evaluate macroscopic and microscopic PNA… read more here.

Keywords: metastatic colorectal; liver metastatic; detection liver; polymer nanoassemblies ... See more keywords
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An experimental and computational study of biosurfactant production from soy molasses

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Published in 2019 at "Reaction Kinetics, Mechanisms and Catalysis"

DOI: 10.1007/s11144-019-01657-y

Abstract: Mathematical modeling was performed of rhamnose production in a batch process, with model validation and optimization of a continuous fixed bed process. The batch experiments were performed for 72 h in a rotary incubator at… read more here.

Keywords: production; computational study; model; experimental computational ... See more keywords
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3D Experimental and Computational Analysis of Eccentric Mitral Regurgitant Jets in a Mock Imaging Heart Chamber

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Published in 2017 at "Cardiovascular Engineering and Technology"

DOI: 10.1007/s13239-017-0316-z

Abstract: Mitral valve regurgitation (MR) is a disorder of the heart in which the mitral valve does not close properly. This causes an abnormal leaking of blood backwards from the left ventricle into the left atrium… read more here.

Keywords: heart chamber; heart; experimental computational; regurgitant jets ... See more keywords
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Experimental and computational investigations on severe slugging in a catenary riser

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Published in 2017 at "China Ocean Engineering"

DOI: 10.1007/s13344-017-0075-5

Abstract: Severe slugging can occur in a pipeline-riser system at relatively low liquid and gas flow rates during gas-oil transportation, possibly causing unexpected damage to the production facilities. Experiments with air and water are conducted in… read more here.

Keywords: gas; slugging catenary; catenary riser; riser ... See more keywords
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Experimental and Computational Study of Lithium Salt-/Plastic Crystal-Assisted Ionogels

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Published in 2021 at "Arabian Journal for Science and Engineering"

DOI: 10.1007/s13369-021-05859-2

Abstract: In the present study, to accomplish the requirement of an economical endurable quasi-solid-state electrolyte, ionogels have been prepared by nonhydrolytic sol–gel method. Ionic liquid, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, succinonitrile (N≡C–CH2CH2–C≡N), and LiClO4 are incorporated inside the non-conductive… read more here.

Keywords: lithium salt; computational study; experimental computational; study ... See more keywords
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Coupled experimental and computational investigation of omega phase evolution in a high misfit titanium-vanadium alloy

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Published in 2017 at "Acta Materialia"

DOI: 10.1016/j.actamat.2017.03.047

Abstract: Abstract Morphological and compositional evolution of omega (ω) precipitates in a model Titanium-20 wt%Vanadium (or 19 at.%V) alloy has been systematically investigated by coupling transmission electron microscopy and atom probe tomography with atomistic ab initio and continuum… read more here.

Keywords: coupled experimental; evolution; misfit; experimental computational ... See more keywords
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Atmospheric deposition and vegetable uptake of polycyclic aromatic hydrocarbons (PAHs) based on experimental and computational simulations

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Published in 2019 at "Atmospheric Environment"

DOI: 10.1016/j.atmosenv.2019.02.030

Abstract: Abstract Experimental and computational simulations are conducted to assess the atmospheric gaseous deposition of polycyclic aromatic hydrocarbons (PAHs) and their uptake by four leafy vegetables (spinach, Chinese cabbage, Shanghai green cabbage, and romaine) during their… read more here.

Keywords: aromatic hydrocarbons; computational simulations; experimental computational; phase ... See more keywords
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Experimental and computational investigations on the effects of deep-temperature emulsion on the turning of Inconel 718 alloy

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Published in 2020 at "Cirp Journal of Manufacturing Science and Technology"

DOI: 10.1016/j.cirpj.2020.10.001

Abstract: Abstract Nickel-based superalloys, for instance Inconel 718, are applied in extreme conditions due to their excellent high-temperature strength. However, the same thermomechanical properties make the machining of Inconel 718 a challenge. Cutting fluids play a… read more here.

Keywords: inconel 718; temperature; temperature emulsion; experimental computational ... See more keywords
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Experimental and computational chemical studies on the cationic furanylnicotinamidines as novel corrosion inhibitors in aqueous solutions

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Published in 2020 at "Chinese Journal of Chemical Engineering"

DOI: 10.1016/j.cjche.2019.04.017

Abstract: Abstract The corrosion inhibition action of three newly synthesized furanylnicotinamidine derivatives namely: 6-[5-{4(dimethylamino)phenyl}furan-2-yl]nicotinamidine (MA-1256), 6-[5-(4-chlorophenyl)furan-2-yl]nicotinamidine (MA-1266), and 6-[5-{4-(dimethylamino)phenyl}furan-2-yl]nicotinonitrile (MA-1250) on carbon steel (C-steel) was investigated in 1.0 mol⋅L−1 HCl solution by weight loss (WL), potentiodynamic polarization… read more here.

Keywords: steel; spectroscopy; experimental computational; corrosion ... See more keywords
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Experimental and computational investigations of a novel quinoline derivative as a corrosion inhibitor for mild steel in salty water

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Published in 2020 at "Colloids and Surfaces A: Physicochemical and Engineering Aspects"

DOI: 10.1016/j.colsurfa.2020.125454

Abstract: Abstract The inhibition efficiency of N- and/or O-containing compounds for the corrosion of metals and alloys in aggressive media is an essential theme. For this purpose, a newly synthesized and fully characterized multidentate ligand, N,N'-((ethane-1,2-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(quinoline-2-carboxamide)… read more here.

Keywords: mild steel; inhibitor; qateta; corrosion ... See more keywords