Browsing by Author "Aparicio, Santiago"
Now showing items 21-29 of 29
-
Limitations and high pressure behavior of MOF-5 for CO2 capture
Jung, Joo Young; Karadas, Ferdi; Zulfiqar, Sonia; Deniz, Erhan; Aparicio, Santiago; Atilhan, Mert; Yavuz, Cafer T.; Han, Seung Min... more authors ... less authors ( Royal Society of Chemistry , 2013 , Article)Porous network structures (e.g. metal–organic frameworks, MOFs) show considerable potential in dethroning monoethanol amine (MEA) from being the dominant scrubber for CO2 at the fossil-fuel-burning power generators. In ... -
Molecular dynamics of CH4/CO2 on calcite for enhancing gas recovery
Carchini, Giuliano; Al-Marri, Mohammed J.; Hussein, Ibnelwaleed; Shawabkeh, Reyad; Mahmoud, Mohamed; Aparicio, Santiago... more authors ... less authors ( 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 simulations in upstream applications
Elbashier, Elkhansa; Carchini, Giuliano; Saad, Mohammed; Hussein, Ibnelwaleed A.; Berdiyorov, Golibjon R.; Aparicio, Santiago... more authors ... less authors ( 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. ... -
Physicochemical Insights on Alkylcarbonate-Alkanol Solutions
Alcalde, Rafael; Atilhan, Mert; Trenzado, Jose Luis; Aparicio, Santiago ( American Chemical Society , 2016 , Article)Macroscopic properties and structuring at the molecular level of dialkylcarbonate + 1-alkanol mixed fluids have been studied as a function of alkyl chain lengths in 1-alkanol and dialkylcarbonate, mixture composition, and ... -
Properties of Dialkylcarbonate + 1-Alkanol Mixtures at the Vacuum Interface
Atilhan, Mert; Aparicio, Santiago ( American Chemical Society , 2016 , Article)The properties of solutions formed by dialkylcarbonate + 1-alkanol solutions are studied using classic molecular dynamics simulations. The effects of solution composition, temperature, and dialkylcarbonate type have been ... -
Rheological, Thermodynamic, and Gas Solubility Properties of Phenylacetic Acid-Based Deep Eutectic Solvents
Altamash, Tausif; Atilhan, Mert; Aliyan, Amal; Ullah, Ruh; Nasser, Mustafa; Aparicio, Santiago... more authors ... less authors ( Wiley-VCH Verlag , 2017 , Article)Choline chloride + phenylacetic acid-based deep eutectic solvents are studied. Their most relevant experimental physicochemical properties at different mixing ratios together with the CO2 solubility data obtained in wide ... -
Synthesis, characterization and evaluation of porous polybenzimidazole materials for CO2 adsorption at high pressures
Ullah, Ruh; Atilhan, Mert; Diab, Ashar; Deniz, Erhan; Aparicio, Santiago; Yavuz, Cafer T.... more authors ... less authors ( Springer New York LLC , 2016 , Article)Porous polybenzimidazole polymers have been under investigation for high and low pressure CO2 adsorption due to the well-built stability under high pressure and at various temperatures. Pressure swing and temperature swing ... -
Theoretical study on amino acid-based ionic pairs and their interaction with carbon nanostructures
Herrera, Cesar; Alcalde, Rafael; Atilhan, Mert; Aparicio, Santiago ( American Chemical Society , 2014 , Article)Quantum chemistry methods were used to analyze the properties of ionic pairs formed by combination of the 1-ethyl-3-methylimidazolium cation with anions derived from alanine, glycine, serine, and phenylalanine amino acids, ... -
Thermodynamic characterization of deepwater natural gas mixtures with heavy hydrocarbon content at high pressures
Atilhan, Mert; Aparicio, Santiago; Ejaz, Saquib; Zhou, Jingjun; Al-Marri, Mohammed; Holste, James J.; Hall, Kenneth R.... more authors ... less authors ( Elsevier , 2015 , Article)This paper includes high-accuracy density measurements and phase envelopes for deepwater natural gas mixtures. Mixtures primarily consist of (0.88 and 0.94) mole fraction methane and both mixtures includes heavy components ...