Article
Chemistry, Multidisciplinary
Lukasz Baran, Malgorzata Borowko, Wojciech Rzysko, Jakub Smolka
Summary: We use Monte Carlo simulations to investigate the behavior of Janus spheres composed of attractive and repulsive parts confined between two parallel solid surfaces. The adsorption isotherms and the impact of density on morphology are determined. Unique structures such as bilayer and three-layer structures at different distances from the walls are observed. The positional and orientational ordering in these layers are affected by selected parameters, with highly ordered hexagonal lattices formed in some cases.
Article
Chemistry, Physical
Nithya Subramanian, Laura Nielsen Lammers
Summary: This study examines the energetics of swelling and ion exchange reactions in montmorillonite, revealing the influence of solution and clay composition on the spontaneity of the reactions. The results show that the clay tends to collapse to lower hydration states as the solution concentration increases. Changes in equilibrium water content and the composition of the mixed electrolyte solution play critical roles in driving ion exchange and clay selectivities to the exchanged cation.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
Po-Hsiang Chang, Pan Liu, Binoy Sarkar, Raj Mukhopadhyay, Qing-Yuan Yang, Yu-Min Tzou, Bo Zhong, Xuxiang Li, Gary Owens
Summary: The study of Amitriptyline (AMI) adsorption on montmorillonite revealed that the best adsorption occurred at neutral pH, following a pseudo-second order kinetic model. The cation exchange mechanism was identified as the main adsorption mechanism.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Physical
Wei-Ting Zhu, Wei-Ping Cao
Summary: In this study, the conformational properties of a binary polymer system confined in slits were investigated using molecular dynamics simulation. The results show that the structure of the binary polymer system can be controlled by varying the surface properties, leading to different surface enrichment structures.
COLLOID AND POLYMER SCIENCE
(2023)
Article
Chemistry, Physical
Po-Hsiang Chang, Raj Mukhopadhyay, Chien-Yen Chen, Binoy Sarkar, Jiwei Li, Yu-Min Tzou
Summary: The adsorption behavior of ranitidine hydrochloride on Ca-montmorillonite was studied. The results showed that Ca-montmorillonite had a high adsorption capacity for ranitidine hydrochloride, and the adsorption kinetics followed the pseudo-second order equation. Cation exchange was identified as the dominant mechanism of adsorption. The study also found that the molecular structure of ranitidine hydrochloride could cause irregular changes in the basal spacing of swelling type clay minerals.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Agriculture, Dairy & Animal Science
Yosra Soltan, Amr Morsy, Nesrein Hashem, Mahmoud Elazab, Mohamed Sultan, Haneen Marey, Gomaa Abo El Lail, Nagwa El-Desoky, Nourhan Hosny, Ahmed Mahdy, Elsayed Hafez, Sobhy Sallam
Summary: The study showed that two types of modified nano-montmorillonite developed by ion-exchange reactions using different surfactants could effectively reduce methane emissions from ruminants. Among them, the clay modified by cationic surfactant was more efficient in modulating rumen fermentation properties.
Article
Chemistry, Physical
Nadia Boulif, Renate Evers, Menno Houben, Zandrie Borneman, Kitty Nijmeijer
Summary: In this study, the effects of adding different weight percentages of montmorillonite materials on the performance of ion exchange membranes were investigated. The results showed that the addition of montmorillonite can improve the conductivity and permselectivity of the membranes, making them more suitable for energy storage and separation technologies.
APPLIED CLAY SCIENCE
(2023)
Article
Geochemistry & Geophysics
Martina Klinkenberg, Felix Brandt, Bart Baeyens, Dirk Bosbach, Maria Marques Fernandes
Summary: The adsorption of Ra-226 and Ba on Na-montmorillonite was studied, showing that Ra appears to be more selective at higher ionic strength.
APPLIED GEOCHEMISTRY
(2021)
Article
Chemistry, Physical
Romina Ilari, Mariana Etcheverry, Carolina V. Waiman, Graciela P. Zanini
Summary: This study analyzed the competitive behavior between the cationic herbicide paraquat and a benzalkonium chloride compound on montmorillonite through adsorption experiments and a theoretical cation exchange model. The results indicated that higher initial concentrations of BAC decreased the maximum adsorbed amount of PQ, with the total adsorbed amount being close to the clay's CEC value. The theoretical model successfully predicted the behavior of larger cations like PQ and BAC, showing that the cation exchange process was spontaneous towards adsorbed BAC.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Polymer Science
Ying Jiang, Chunhui Shen, Junjie Chen, Hao Lu, Yichuan Guo, Shanjun Gao
Summary: In this study, epichlorohydrin functionalized by three different cations were used to modify polyvinyl alcohol (PVA) to prepare a series of PVA based anion exchange membranes (AEMs). The AEM modified by piperidine cation exhibited continuous ion channels and obvious microphase separation structure, resulting in an OH- conductivity of 94.13 mS cm(-1) at 80°C and relatively good alkali resistance (87.16%, 360 h). Crosslinking by p-phthalaldehyde effectively lowered the swelling ratio, increased the thermal stability and improved the mechanical properties of the AEMs.
JOURNAL OF APPLIED POLYMER SCIENCE
(2023)
Article
Engineering, Environmental
Jeonghwan Hwang, Weon Shik Han, Sungwook Choung, Jung-Woo Kim, Heejun Suk, Jaehyun Lee
Summary: The sorption of Cs+ on illitic clays is influenced by the multiple sorptive sites, including frayed edge, type II, and planar sites. The sorption capacities at these sites depend on the illite content and crystallinity of the clays. The frayed edge sites predominantly sorb Cs+ at low concentrations, while the type II and planar sites contribute to Cs+ sorption at higher concentrations.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Geochemistry & Geophysics
Haitao Xue, Penglei Yan, Zhentao Dong, Rixin Zhao, Guozhi Ding, Jinliang Yan, Chunlei Li
Summary: The adsorption properties of shale oil in kaolinite slit pores were investigated by molecular dynamics simulation. Results showed that the adsorption capacity increased with the increase of alkane carbon number, and was greater on the surface of silicon-oxygen tetrahedron than on the surface of aluminium-oxygen octahedron. The interaction force between kaolinite and alkane surface increased with the increase of alkane carbon number. Based on molecular simulations, the adsorption capacity of alkanes with different carbon numbers and the adsorption capacity per unit area in the pores were calculated, providing a theoretical basis for the calculation of shale oil geological reserves.
Article
Geochemistry & Geophysics
Qin Li, Xiancai Lu, Meng Chen, Lihu Zhang, Yongxian Cheng, Xiandong Liu, Zhe Yin
Summary: Chemical weathering is a crucial process on Earth's surface, and lithium isotopes can be used as a tracer. Quantitative understanding of the partitioning of Li in clay minerals and the associated isotope fractionation is essential for using lithium isotopes as a geochemical tracer. Molecular dynamic simulations and thermodynamic calculations reveal the cation exchange between montmorillonite clay and solvated Li, as well as the isotope fractionation. Integrating cationic selectivity coefficients and Li isotope fractionation can help constrain fluid composition and evaluate the intensity of chemical weathering processes.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2023)
Article
Engineering, Environmental
Ting-Yu Li, Wei-Jing Li, Ming -Yen Wey
Summary: In this study, a series of CeMn-supported montmorillonite (MMT) catalysts were synthesized through a cation exchange reaction. The Mn(C)-MMT(12) showed strong electronegativity and abundant acidity, facilitating the adsorption of NH3, while the coexistence of CeO2 improved the redox ability for NO oxidation and NOX conversion under low temperature conditions.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Physical
Kenji Yotsuji, Yukio Tachi, Hiroshi Sakuma, Katsuyuki Kawamura
Summary: This study investigated the crystalline swelling behavior of montmorillonite with different interlayer cations using molecular dynamics simulations and experimental measurements. Results showed that hydration free energy of interlayer cations and their coordination mode play a crucial role in the swelling behavior. The preference of outer- or inner-sphere complex of interlayer cations and the distribution of cations also significantly impact the swelling behavior.
APPLIED CLAY SCIENCE
(2021)
Article
Engineering, Manufacturing
Roneisha Haney, Phong Tran, Edward B. Trigg, Hilmar Koerner, Tarik Dickens, Subramanian Ramakrishnan
Summary: Direct ink writing (DIW) of graphite-epoxy composites is used to fabricate highly conductive free-standing 3D structures, and increasing print speed has been found to significantly enhance the conductivity of the final cured composite. By adjusting print parameters, the electrical properties of the printed structure can be effectively controlled.
ADDITIVE MANUFACTURING
(2021)
Article
Polymer Science
David T. Grubb, W. Joshua Kennedy, Hilmar Koerner, N. Sanjeeva Murthy
Summary: By using simple microstructural models to generate different SAXS patterns, it is possible to understand the structure of semi-crystalline polymers and their evolution during deformation, aiding in simulating corresponding experimental data.
Review
Chemistry, Multidisciplinary
Mia Carrola, Amir Asadi, Han Zhang, Dimitrios G. Papageorgiou, Emiliano Bilotti, Hilmar Koerner
Summary: The combination of nanomaterials and additive manufacturing can bring impressive properties, but achieving cooperative synergistic effects and novel material properties requires deeper research. By studying the cooperative effects at processing, morphological, and architectural levels, material performance can be improved, emerging properties explored, and the additive manufacturing process enhanced.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Polymer Science
Edward B. Trigg, Lutz Wiegart, Andrei Fluerasu, Hilmar Koerner
Summary: This study investigated the curing process of epoxy resins containing dilute spherical nanoparticles using X-ray photon correlation spectroscopy (XPCS), revealing insights into crosslink densities and topologies. The dynamic transition from sub-diffusive to ballistic-like nanoparticle motion was detected, with higher crosslink density samples showing an abrupt change coinciding with gelation. Chain entanglement played a role in samples with lower crosslink density.
Article
Polymer Science
Sarah Izor, Allen Schantz, Ali Jawaid, Chris Grabowski, Tony Dagher, Hilmar Koerner, Kyoungweon Park, Richard Vaia
Summary: The experimental results show that the phase behavior of polymer-grafted nanoparticles in thermal or poor solvents is influenced by the polymer branching, which is important for the dispersibility and morphology of the nanoparticles.
Article
Engineering, Multidisciplinary
William Jordan Wright, Hilmar Koerner, Dan Rapking, Andrew Abbott, Emrah Celik
Summary: Short fiber reinforced polymer composites fabricated by direct ink writing (DW) offer design flexibility, low cost, and tailored properties. The study focuses on controlling fiber alignment in these composites using two common printing parameters: nozzle diameter and velocity ratio. It was found that printing with smaller nozzle diameters and higher velocity ratios enhances fiber alignment, resulting in improved bending stiffness and strength.
COMPOSITES PART B-ENGINEERING
(2022)
Article
Chemistry, Physical
Bo Li, Clive A. Randall, Evangelos Manias
Summary: This study explores the dielectric response of a composite material consisting of ethylene-propylene-diene elastomer and carbon black nanofillers. It reveals that the dielectric relaxation is primarily determined by electron displacement within carbon black clusters, contradicting widely assumed interfacial polarization mechanisms. The dielectric response of the composites can be quantitatively correlated with the morphology of the carbon black clusters via a set of scaling laws.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Nanoscience & Nanotechnology
Can Wang, Karsu Kilic, Hilmar Koerner, Jeffery W. Baur, Vikas Varshney, Krystelle Lionti, Reinhold H. Dauskardt
Summary: This study presents an easier approach to fabricate polyimide nanocomposites with enhanced fracture resistance by cross-linking shorter preimidized polyimide chains filled in a nanoporous matrix. The higher chain mobility and stronger polymer-surface interaction achieved with this method significantly improve the fracture resistance of the nanocomposite.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Engineering, Manufacturing
William Jordan Wright, Joshua Darville, Nurcin Celik, Hilmar Koerner, Emrah Celik
Summary: This study presents a novel optimization framework that utilizes computer vision and deep learning to optimize the calibration and printing processes of thermoset composite AM. An integrated extrusion AM system is developed to determine the optimal printing parameters for composite ink, improving mechanical performance and minimizing labor-intensive procedures.
ADDITIVE MANUFACTURING
(2022)
Article
Chemistry, Physical
Marzieh Mirzamani, Arnab Dawn, Christopher J. Garvey, Lilin He, Hilmar Koerner, Harshita Kumari
Summary: This article presents a study on the process of supramolecular assembly. By using a slow-evolving urea-based gel, the authors were able to observe and analyze the different stages of self-assembly in real time. The results of this study provide a thorough understanding of the self-assembly process and its potential applications in industries such as cosmetics, 3D printing ink, and paint.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Nanoscience & Nanotechnology
Mia Carrola, Hamed Fallahi, Hilmar Koerner, Lisa M. Perez, Amir Asadi
Summary: Studying the behavior of polyetheretherketone (PEEK) in the presence of carbon nanotubes (CNTs) during fused filament fabrication (FFF) process can improve crystallization and mechanical properties. Understanding the morphology evolution allows formulating materials for additive manufacturing (AM) to achieve tailored properties.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Polymer Science
Victoria J. Barber, Meredith A. Borden, Jill W. Alty, Ly D. Tran, Hilmar Koerner, Luke A. Baldwin, Erik J. Alexanian, Frank A. Leibfarth
Summary: There is an increasing demand for degradable polymers in sustainable plastics and medical implants. To improve their usability, it is necessary to have a better understanding of degradation factors and develop new tools for modulation. In this study, poly(caprolactone) was modified through C-H xanthylation, resulting in changes in material properties and slower degradation. The interplay between molecular and materials characteristics was found to impact the degradation rate.
Article
Chemistry, Multidisciplinary
Ly D. Tran, Brian J. Ree, Aleksey Ruditskiy, Lucas K. Beagle, Ryan C. Selhorst, Biddut K. Sarker, Dayanni D. Bhagwandin, Paige Miesle, Lawrence F. Drummy, Michael F. Durstock, Rahul Rao, Hilmar Koerner, Nicholas R. Glavin, Luke A. Baldwin
Summary: Strategies for solution processing of COF thin films are important for their integration into electronic and optical devices. This study demonstrates the synthesis of TAPA-PDA and TAPB-PDA imine COFs as thin films using azomethine compounds that can be deposited on a variety of substrates. The COF films exhibit high crystallinity and different orientations depending on the substrate. Solution processing techniques will be vital for utilizing the properties of thin film COFs as they become more relevant for device applications.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Marwan Al-Haik, Suma Ayyagari, Yixin Ren, Andrew Abbott, Bing Qian Zheng, Hilmar Koerner
Summary: This investigation demonstrates a method of preparing AM composites with hybrid reinforcements of short carbon fibers and Ni-MOFs. The porous MOFs provide the fibers with a large surface area, and the growth process is non-destructive and scalable. The study also shows the possibility of using Ni-based MOFs as a catalyst for growing MWCNTs on carbon fibers.
Article
Materials Science, Multidisciplinary
Bo Li, Maryam Sarkarat, Amanda Baker, Clive A. Randall, Evangelos Manias
Summary: The study examined a systematic series of EPDM elastomer/carbon-black composites with additional ceramic fillers to quantify their effects on dielectric properties, particularly the interfacial contributions. It was found that substantial interfacial contributions overwhelmed the ceramic fillers' dielectric constants and dominated the dielectric performance of the composites, challenging the validity of standard models for predicting dielectric permittivities. Additionally, non-trivial interactions between carbon black and ceramic fillers were observed, casting doubt on the accuracy of existing models.