Article
Biochemistry & Molecular Biology
Roger Bellido-Peralta, Fabio Leoni, Carles Calero, Giancarlo Franzese
Summary: This study explores the effects of graphene pore size on the pressure, density, and composition of water-methanol mixtures using Molecular Dynamics simulations. It is found that tuning the pore size can change the mixture's pressure, density, and composition in bulk, which can help optimize the filtration applications of graphene pores.
Article
Engineering, Chemical
Quan Liu, Minggong Chen, Longlong Sun, Gongping Liu, Rong Xu
Summary: The study investigates the effect of pore density (PPI) on the separations of water/ethanol and methanol/ethanol mixtures through graphene oxide (GO) membranes. It is found that the fluxes of water and methanol linearly increase with PPI due to enhanced diffusivity and reduced permeation barrier. However, large PPIs sacrifice separation factors. The study provides a theoretical basis for designing high-performance GO membranes for ethanol dehydration and methanol recovery.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Chemical
Ruba Munir, Khuram Ali, Syed Abbas Zilqurnain Naqvi, Muhammad Aamer Maqsood, Muhammad Zeeshan Bashir, Saima Noreen
Summary: The study successfully synthesized zinc oxide, copper oxide, manganese dioxide, and magnesium oxide nanoparticles from Leucaena leucocephala leaves for the removal of Reactive Golden Yellow-145 and Direct Red-31 dyes. The nanoparticles showed high adsorption capacities for both dyes. The study also investigated the effects of surfactants and electrolytes on dye adsorption.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Biochemistry & Molecular Biology
William A. Alexander
Summary: In January 2014, a chemical spill incident resulted in over 300,000 residents in West Virginia experiencing a shortage of clean water for days and weeks. Research indicated that the trans-isomer of MCHM has a stronger adsorption capability on activated carbon, potentially explaining observations of MCHM leeching from GAC filters due to seasonal water temperature variations.
Article
Chemistry, Multidisciplinary
Wan-Chi Lee, Anshaj Ronghe, Luis Francisco Villalobos, Shiqi Huang, Mostapha Dakhchoune, Mounir Mensi, Kuang-Jung Hsu, K. Ganapathy Ayappa, Kumar Varoon Agrawal
Summary: This study demonstrates that placing angstrom-sized oxygen-functionalized graphene nanopores at the liquid-vapor interface can greatly enhance water evaporation rates. The presence of these nanopores decreases the free energy barrier for water evaporation and increases the rotational and translational dynamics of water molecules, leading to a significant increase in evaporation flux. These findings have potential applications in energy-efficient technologies relying on water evaporation.
Article
Materials Science, Multidisciplinary
Manoj Kumar, Smriti Supreet, Smriti Sharma, Sneh Lata Goyal, Sanjeev Kumar, Sumit Chauhan, Bhavna Vidhani, Rishi Pal
Summary: Reduced graphene oxide-polyaniline nanocomposites were successfully synthesized for the development of a room temperature, highly responsive and selective methanol gas sensor. The synthesized samples showed nanoparticles morphology and semi-crystalline structure. The 8 wt% reduced graphene oxide doped polyaniline composite exhibited the highest response of 52% at 200 ppm methanol vapor concentration. Furthermore, the fabricated sensor showed good stability even after 180 days.
MATERIALS CHEMISTRY AND PHYSICS
(2024)
Article
Chemistry, Physical
Changyifan Ren, Zhiwei Ge, Guobiao Ou, Zhenhua Ren, Liejin Guo
Summary: The supercritical water partial oxidation (SCWPO) process for ethanol involves nine reactions to generate gas products including H-2, CO, CH4, and CO2. Dehydrogenation and pyrolysis of ethanol are the main ways to produce H-2 in the early stage, while the water-gas shift reaction has the most significant impact on hydrogen production in the later stage.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Gobin Raj Acharya, Madhusudan Tyagi, Eugene Mamontov, Peter M. M. Hoffmann
Summary: We utilized quasi-elastic neutron scattering (QENS) to measure the dynamics of water and ethanol confined in graphene oxide (GO) powder or membranes at different temperatures and orientations. Both water and ethanol showed reduced diffusivities and a depression of dynamic transition temperatures. We found evidence of immobile and mobile fractions in the confined liquid, with the mobile fraction exhibiting jump diffusion consistent with the spacing of hydroxide groups in the GO surfaces. Anisotropy measurements revealed weak anisotropy in the diffusivity and geometry of the species.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Warangthat Kriprasertkul, Thongthai Witoon, Pattaraporn Kim-Lohsoontorn
Summary: This study investigated the two steps of dimethyl ether (DME) synthesis from CO2 and H-2, including CO2 hydrogenation to methanol through ethanol-assisted method and methanol dehydration to DME. The addition of ZrO2, Al2O3, and ZrO(2)eAl(2)O(3) into Cu/ZnO catalyst was studied, and suitable zeolite for methanol dehydration was determined. The results showed that ethanol-assisted method and the Cu/ZnO/ZrO2 catalyst provided high methanol yield and CO2 conversion. Ferrierite zeolite exhibited the highest DME productivity. The synthesis of DME and ethylene from CO2 and H-2 through ethanol-assisted methanol synthesis and methanol dehydration has potential applications.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Multidisciplinary
Liubov A. Belyaeva, Chen Tang, Ludo Juurlink, Gregory F. Schneider
Summary: The study delves into the wetting properties of graphene, highlighting the significance of sample preparation in understanding its surface chemistry. Differences in substrates can significantly alter the interactions between graphene and the first monolayer of adsorbed water, impacting microscopic wetting transparency even when macroscopic wetting transparency is observed.
Article
Chemistry, Inorganic & Nuclear
Imran Ali, Gunel T. Imanova, Abdullah Alamri, Sayed Zenab Hasan, Al Arsh Basheer
Summary: Polyhydroquinone graphene oxide nanocomposite was synthesized and used for the removal of cephalexin antibiotic from water. The experimental results showed that the nanocomposite has a high efficiency in removing cephalexin, and the sorption process is spontaneous. Simulation investigation confirmed the physical sorption of cephalexin on the nanocomposite.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Review
Chemistry, Multidisciplinary
Eunchan Kim, Donghwan Kim, Kyungwon Kwak, Yuki Nagata, Mischa Bonn, Minhaeng Cho
Summary: Understanding water interactions with graphene is crucial in various applications. Vibrational sum frequency generation (VSFG) spectroscopy is capable of elucidating the hydrogen-bonding structure of water at the graphene-water interface. Specifically, increasing the number of graphene layers reveals water molecules with non-H-bonded, dangling OH groups, which correlate with the water adhesion energy of graphene. VSFG spectroscopy is a valuable technique for measuring water adhesion energy on confined interfaces.
Article
Materials Science, Multidisciplinary
Arafat Toghan, M. Khairy, Mohamed Mokhtar Mohamed, Ahmed A. Amer
Summary: Boron defect graphene (BdG) was successfully fabricated through vacuum-thermal annealing method at 900 degrees C, and characterized by various techniques. The research revealed that BdG exhibited exceptional methanol oxidation reactivity and lower CO tolerance, showing potential applications.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Mechanics
Hsin-Yu Chang, Heng-Kwong Tsao, Yu-Jane Sheng
Summary: The wicking dynamics of total wetting liquid in graphene nanocapillaries were explored, and two regimes were identified: inertia-dominated initial spreading and viscous spreading with an exponent greater than Tanner's law. The advancing motions of both the precursor film and main flow were observed, and their lengths were proportional to the square root of time. However, the proportional constant of the precursor film was greater than that of the main flow, and it decreased with increasing channel widths. The thickness of the precursor film and the diameter of curvature of the menisci increased with increasing channel widths, and rapid imbibition behavior was observed in very narrow nanoslits.
Article
Chemistry, Physical
Jafar Azamat, Farzaneh Ghasemi, Jaber Jahanbin Sardroodi, Darian Jahanshahi
Summary: This study investigated the efficient separation of methanol and ethanol from water using molecular dynamics simulations in different armchair boron nitride nanotubes (BNNT). The study found that (10,10) and (13,13) BNNTs could selectively separate methanol and ethanol molecules from water, influenced by BNNT diameter sizes, hydrogen bonding, and Van der Waals interactions. External forces such as hydrostatic pressure and electric field were effective in enhancing solvent molecule permeation through BNNTs.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
R. Scott Smith, Bruce D. Kay
JOURNAL OF PHYSICAL CHEMISTRY B
(2018)
Article
Chemistry, Physical
R. Scott Smith, Bruce D. Kay
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2018)
Article
Chemistry, Physical
R. Scott Smith, Nikolay G. Petrik, Greg A. Kimmel, Bruce D. Kay
JOURNAL OF CHEMICAL PHYSICS
(2018)
Article
Chemistry, Physical
R. Scott Smith, Bruce D. Kay
JOURNAL OF PHYSICAL CHEMISTRY A
(2019)
Article
Chemistry, Physical
Greg A. Kimmel, Yuntao Xu, Alexandra Brumberg, Nikolay G. Petrik, R. Scott Smith, Bruce D. Kay
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
R. Scott Smith, Chunqing Yuan, Nikolay G. Petrik, Greg A. Kimmel, Bruce D. Kay
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Long Chen, Shengjie Zhang, Rudradatt R. Persaud, R. Scott Smith, Bruce D. Kay, David Dixon, Zdenek Dohnalek
JOURNAL OF PHYSICAL CHEMISTRY C
(2019)
Article
Chemistry, Physical
Matthew D. Marcinkowski, Simuck F. Yuk, Nassar Doudin, R. Scott Smith, Manh-Thuong Nguyen, Bruce D. Kay, Vassiliki-Alexandra Glezakou, Roger Rousseau, Zdenek Dohnalek
Article
Chemistry, Physical
Matthew D. Marcinkowski, Kraen C. Adamsen, Nassar Doudin, Marcus A. Sharp, R. Scott Smith, Yang Wang, Stefan Wendt, Jeppe V. Lauritsen, Gareth S. Parkinson, Bruce D. Kay, Zdenek Dohnalek
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
M. Tylinski, R. Scott Smith, Bruce D. Kay
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Chemistry, Physical
M. Tylinski, R. Scott Smith, Bruce D. Kay
JOURNAL OF PHYSICAL CHEMISTRY A
(2020)
Article
Chemistry, Physical
R. Scott Smith, M. Tylinski, Greg A. Kimmel, Bruce D. Kay
Summary: Isothermal crystallization kinetics of amorphous acetonitrile films were measured using molecular beam dosing and reflection adsorption infrared spectroscopy techniques. The study found that crystallization rate slows over time, with a thickness dependence and an influence from decane layers at substrate and vacuum interfaces. The overall kinetics were complex, suggesting the possibility of multiple nucleation and growth mechanisms.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Long Chen, R. Scott Smith, Bruce D. Kay, Zdenek Dohnalek
Summary: The reaction pathways of glycerol on TiO2(110) involve the production of water, hydrogen, and carbon-containing products, with the C-H bond scission channel identified as the primary pathway for hydrogen evolution. The study also suggests that smaller oxygenates are not suitable models for probing the reaction pathways of larger oxygenates on oxide surfaces.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Christopher J. Lee, Marcus A. Sharp, R. Scott Smith, Bruce D. Kay, Zdenek Dohnalek
Summary: The adsorption of C2 hydrocarbons on Fe3O4(001) was studied using various experimental methods, revealing different desorption characteristics for each molecule, with desorption energies increasing with bond order. The saturation coverage at 82K matches well with the 2-dimensional area determined from liquid densities.
Article
Chemistry, Physical
Marcus A. Sharp, Christopher J. Lee, Mausumi Mahapatra, R. Scott Smith, Bruce D. Kay, Zdenek Dohnalek
Summary: In this study, the morphological changes of a model Rh catalyst supported on Fe3O4(001) were investigated using scanning tunneling microscopy and X-ray photoelectron spectroscopy. Various Rh sites were identified, and the properties of these sites were characterized using adsorbates such as CO and CO2. The high-temperature CO desorption and CO oxidation mechanisms were demonstrated for adatoms and nanoparticles.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)