Browsing by Author "Aparicio, S."
Now showing items 1-20 of 31
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A comprehensive review on the rheological behavior of imidazolium based ionic liquids and natural deep eutectic solvents
Elhamarnah Y.A.; Nasser M.; Qiblawey H.; Benamor A.; Atilhan M.; Aparicio S.... more authors ... less authors ( Elsevier B.V. , 2019 , Article Review)The rheological behavior of a fluid is an important property that has a distinct impact on its flow conduct, which influence viscosity dependent phenomena and applications such as pumping, mass transfer rates, and ... -
A detailed study of cholinium chloride and levulinic acid deep eutectic solvent system for CO2capture via experimental and molecular simulation approaches
Ullah, R.; Atilhan, M.; Anaya, B.; Khraisheh, Majeda; Garcia, G.; Elkhattat, A.; Tariq, M.; Aparicio, S.... more authors ... less authors ( Royal Society of Chemistry , 2015 , Article)Choline chloride + levulinic acid deep eutectic solvent is studied as a suitable material for CO2capturing purposes. The most relevant physicochemical properties of this solvent are reported together with the CO2solubility ... -
A theoretical study of gas adsorption on calcite for CO2 enhanced natural gas recovery
Carchini G.; Hussein I.; Al-Marri M.J.; Shawabkeh R.; Aparicio S. ( European Association of Geoscientists and Engineers, EAGE , 2019 , Conference Paper)The adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on calcite (104) has been studied by means of Density Functional Theory, in order to investigate the molecular characterization of Enhanced Gas Recovery (EGR) ... -
A theoretical study of gas adsorption on calcite for CO2 enhanced natural gas recovery
Carchini G.; Hussein I.; Al-Marri M.J.; Shawabkeh R.; Mahmoud M.; Aparicio S.... more authors ... less authors ( Elsevier B.V. , 2020 , Article)The adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on calcite (104) has been studied by means of Density Functional Theory for molecular characterization of Enhanced Gas Recovery (EGR) CO2 injection. Results show ... -
A theoretical study of gas adsorption on α-quartz (0 0 1) for CO2 enhanced natural gas recovery
Carchini G.; Hussein I.; Al-Marri M.J.; Shawabkeh R.; Mahmoud M.; Aparicio S.... more authors ... less authors ( Elsevier B.V. , 2020 , Article)The adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on the “dense” (0 0 1) surface of α-quartz has been investigated by means of Density Functional Theory (DFT) for the molecular characterization of Enhanced Gas ... -
Ab initio molecular dynamics investigation of CH4/CO2 adsorption on calcite: Improving the enhanced gas recovery process
Carchini G.; Al-Marri M.J.; Hussein I.A.; Aparicio S. ( American Chemical Society , 2020 , Article)Ab initio molecular dynamics simulations of CH4 and CO2 on the calcite (104) surface have been carried out for the molecular level analysis of CO2-enhanced gas recovery process (EGR). This process takes advantage of the ... -
Ab Initio molecular dynamics of the dissolution of oilfield pyrite scale using borax
Onawole A.T.; Hussein I.A.; Ahmed M.E.M.; Saad M.A.; Aparicio S. ( Elsevier B.V. , 2020 , Article)Iron sulfide scales, particularly pyrite, form in oil and gas underground tubing and surface equipment thus blocking the flow of fluids and halting production. Therefore, the development of physicochemical processes for ... -
Ab-Initio Molecular Dynamics investigation of gas adsorption on α-quartz (001) for CO2 enhanced natural gas recovery
Carchini G.; Hussein I.A.; Al-Marri M.J.; Mahmoud M.; Shawabkeh R.; Aparicio S.... more authors ... less authors ( Elsevier B.V. , 2021 , Article)In this work, the interaction of methane and carbon dioxide on α-quartz with surface 001, with a siloxane termination (dense) surface was investigated by means of Ab-Initio Molecular Dynamics. Different temperatures were ... -
Adsorption equilibrium studies of CO2, CH4 and N2 on various modified zeolites at high pressures up to 200 bars
Ullah R.; Ali H Salah Saad M.; Aparicio S.; Atilhan M. ( Elsevier B.V. , 2018 , Article)Power generation industries are mostly built on integrated gasification combine cycle (IGCC) which uses high pressure system to turn fossil fuels into pressurized gas i.e. synthesis gas (syngas) which in turn produce energy ... -
Application of DFT in iron sulfide scale removal from oil and gas wells
Onawole A.; Hussein I.; Saad M.; Ahmed M.; Aparicio S. ( European Association of Geoscientists and Engineers, EAGE , 2019 , Conference Paper)Scale formation including those formed by iron sulfides have been a major hassle in the upstream sector of the oil and gas industry for many decades. Iron Sulfide scales including pyrite (FeS2) and troilite (FeS) often ... -
CO 2 adsorption studies on Prussian blue analogues
Karadas, F.; El-Faki, H.; Deniz, E.; Yavuz, C.T.; Aparicio, S.; Atilhan, M.... more authors ... less authors ( Elsevier Inc. , 2012 , Article)Carbon dioxide (CO2) adsorption capacities of several Prussian blue (PB) analogues have been studied using the state-of-the-art Rubotherm® sorption apparatus to obtain adsorption and desorption isotherms of these compounds ... -
CO2 enhanced gas recovery and sequestration in depleted gas reservoirs: A review
Hamza A.; Hussein I.A.; Al-Marri M.J.; Mahmoud M.; Shawabkeh R.; Aparicio S.... more authors ... less authors ( Elsevier B.V. , 2021 , Article Review)Increasing CO2 emissions and global warming side effects have prompted the researchers to look for safe and reliable storage sites that have high capacity. Among the available CO2 capturing sinks, depleted gas reservoirs ... -
Combined Experimental and Theoretical Study on High Pressure Methane Solubility in Natural Deep Eutectic Solvents
Altamash T.; Amhamed A.I.; Aparicio S.; Atilhan M. ( American Chemical Society , 2019 , Article)In this paper, we report high pressure experimental measurements and detailed density functional theory (DFT) as well as molecular dynamic (MD) simulations of methane (CH4) solubility in natural deep eutectic solvents ... -
Cost-effective alkylammonium formate-based protic ionic liquids for methane hydrate inhibition
Altamash T.; Khraisheh M.; Qureshi M.F.; Saad M.A.; Aparicio S.; Atilhan M.... more authors ... less authors ( Elsevier B.V. , 2018 , Article)In light of current concerns about environmental impact, ionic liquids have been tested in a number of industrial applications, including gas purification, lubrication, and catalysis. In this work, cost-effective ... -
Gas hydrate inhibition: A review of the role of ionic liquids
Tariq, M.; Rooney, D.; Othman, E.; Aparicio, S.; Atilhan, M.; Khraisheh, Majeda... more authors ... less authors ( American Chemical Society , 2014 , Article)Ionic liquids (ILs) are popular designer green chemicals with great potential for use in diverse energy-related applications. Apart from the well-known low vapor pressure, the physical properties of ILs, such as ... -
Gas solubility and rheological behavior study of betaine and alanine based natural deep eutectic solvents (NADES)
Altamash T.; Nasser M.S.; Elhamarnah Y.; Magzoub M.; Ullah R.; Qiblawey H.; Aparicio S.; Atilhan M.... more authors ... less authors ( Elsevier B.V. , 2018 , Article)Natural deep eutectic solvent (NADES) produced herein this work by mixing betaine and alanine with lactic acid and malic acid with 1:1 M mixing ratios. Thermophysical properties including water content, thermal stability, ... -
High pressure CO2 absorption studies on imidazolium-based ionic liquids: Experimental and simulation approaches
Karadas, F.; Koz, B.; Jacquemin, J.; Deniz, E.; Rooney, D.; Thompson, J.; Yavuz, C.T.; Khraisheh, Majeda; Aparicio, S.; Atihan, M.... more authors ... less authors (2013 , Article)A combined experimental-computational study on the CO2 absorption on 1-butyl-3-methylimidazolium hexafluophosphate, 1-ethyl-3-methylimidazolium bis[trifluoromethylsulfonyl]imide, and 1-butyl-3-methylimidazolium ... -
Insights into Tris-(2-Hydroxylethyl)methylammonium Methylsulfate Aqueous Solutions
Aparicio, S.; Atilhan, M. ( WILEY-VCH Verlag , 2012 , Article)We report herein a combined experimental–computational study on tris-(2-hydroxylethyl)methylammonium methylsulfate in water solutions, as a representative ionic liquid of the aqueous-solution behavior of hydroxylammonium-based ... -
Insights of CO2 adsorption performance of amine impregnated mesoporous silica (SBA-15) at wide range pressure and temperature conditions
Ullah, R.; Atilhan, M.; Aparicio, S.; Canlier, A.; Yavuz, C.T. ( Elsevier Ltd , 2015 , Article)Beside IGCC, efficient storage and transportation of CO2 and other gases require pressurize conditions. CO2 and other gases adsorption on solid sorbents at high pressure and various temperatures are extremely important as ... -
Investigation of the performance of biocompatible gas hydrate inhibitors via combined experimental and DFT methods
Mohamed, N.A.; Tariq, M.; Atilhan, M.; Khraisheh, Majeda; Rooney, D.; Garcia, G.; Aparicio, S.... more authors ... less authors ( Academic Press , 2017 , Article)In this work, three ionic liquids (ILs) from the bio-compatible family of choline cations attached to anions of varying hydrophobicity namely: choline acetate (ChOAc), choline bistriflamide (ChNtf2), and choline chloride ...