The Electronic Properties and Adsorption Performance of LDH/Graphene, and LDH/g-CN for the Removal of Pharmaceutical Contaminants: A Molecular Dynamics Simulation.

Water shortages and pharmaceutical pollution are two interconnected crises that pose severe threats to global health, environmental sustainability, and economic stability. Pharmaceutical pollution is widespread and has reached potentially toxic levels in over 258 rivers in 104 countries. So far, more interest has been paid towards efficient water treatment processes in recent years.

Challenges and Opportunities in Calibrating Low-Cost Environmental Sensors.

The use of low-cost environmental sensors has gained significant attention due to their affordability and potential to intensify environmental monitoring networks. These sensors enable real-time monitoring of various environmental parameters, which can help identify pollution hotspots and inform targeted mitigation strategies. Low-cost sensors also facilitate citizen science projects, providing more localized and granular data, and making environmental monitoring more accessible to communities.

Design of Multi-Layer Graphene Membrane with Descending Pore Size for 100% Water Desalination by Simulation Using ReaxFF.

The performance of a desalination membrane depends on a specific pore size suitable for both water permeability and salt rejection. To increase membrane permeability, the applied pressure should be increased, which creates the need to improve membrane stability. In this research article, a molecular dynamics (MD) simulation was performed using ReaxFF module from Amsterdam Modeling suite (AMS) software to simulate water desalination efficiency using a single and multi-layer graphene membrane.

A Literature Review of Modelling and Experimental Studies of Water Treatment by Adsorption Processes on Nanomaterials.

A significant growth in the future demand for water resources is expected. Hence researchers have focused on finding new technologies to develop water filtration systems by using experimental and simulation methods. These developments were mainly on membrane-based separation technology, and photocatalytic degradation of organic pollutants which play an important role in wastewater treatment by means of adsorption technology.

Prediction of electronic properties of novel ZnS-ZnO-recycled expanded polystyrene nanocomposites by DFT.

DFT calculations using Material Studio (2019) were used to ascertain the changes in electronic properties of recycled expanded polystyrene (rEPS) after modification with nanoparticles of ZnS and ZnO. The nanocomposites were obtained using rEPS and suitable metal salt precursors via a solvothermal method. The XRD analysis was conducted to obtain the crystallography data of the new rEPS-based nanocomposites.

The electronic properties and water desalination performance of a photocatalytic TiO/MoS nanocomposites bilayer membrane: a molecular dynamic simulation.

Due to the rapid depletion of water resources, more interest is paid for the efficient desalination process in recent years. MoS membrane aroused attention due to its high mechanical stability and electronic properties, which can sustain extra-large strains. In this study, the electronic properties and water desalination performance of TiO/MoS-hexagonal, and TiO/MoS-rhombohedral nanocomposites bilayer membranes were studied and simulated for the first time.

A photocatalytic TiO/graphene bilayer membrane design for water desalination: a molecular dynamic simulation.

The research about finding the effective membrane material is in progress; however, there are pros and cons for each material. Graphene membrane is a single layer of atoms in a two-dimensional hexagonal lattice which achieved high performance in water purification field. Addition of TiO to the graphene membrane has been studied for the membrane modifications due to its high stability and photocatalytic performance.