Attachment and Detachment of Oil Droplets on Solid Surfaces: Insights from Molecular Simulations.

The behavior of oil droplets at solid surfaces is a key aspect of oil production and environmental protection. In this paper, the mechanisms of attachment and detachment of oil aggregates are studied via molecular dynamics simulations. The influence of oil-surface interactions on the shape and structure of adsorbed clusters is discussed.

Molecular Dynamics Simulations of Different Nanoparticles at Substrates.

We report the results of large-scale molecular dynamics simulations of adsorption nanoparticles on solid surfaces. The particles were modeled as stiff aggregates of spherical segments. Three types of particles were studied: rods, rectangles, and triangles built of the same number of segments.

Janus Ligand-Tethered Nanoparticles at Liquid-Liquid Interfaces.

We investigate the structural properties of Janus ligand-tethered nanoparticles at liquid-liquid interfaces using coarse-grained molecular dynamics simulations. The effect of interactions between different chains and liquids is discussed. We consider the Janus particles with symmetrical interactions with the liquids which correspond to supplementary wettability and particles with uncorrelated interactions.

Hybrid Nanoparticles at Fluid-Fluid Interfaces: Insight from Theory and Simulation.

Hybrid nanoparticles that combine special properties of their different parts have numerous applications in electronics, optics, catalysis, medicine, and many others. Of the currently produced particles, Janus particles and ligand-tethered (hairy) particles are of particular interest both from a practical and purely cognitive point of view. Understanding their behavior at fluid interfaces is important to many fields because particle-laden interfaces are ubiquitous in nature and industry.

Shape Transformations and Self-Assembly of Hairy Particles under Confinement.

Molecular dynamics simulations are used to investigate the behavior of polymer-tethered nanoparticles between two inert or attractive walls. The confinement in pores creates new possibilities for controlling the shape transformation of individual hairy particles and their self-organization. We introduce a minimalistic model of the system; only chain-wall interactions are assumed to be attractive, while the others are softly repulsive.

Adsorption of Polymer-Tethered Particles on Solid Surfaces.

We explore the behavior of polymer-tethered particles on solid surfaces using coarse-grained molecular dynamics simulations. Segment-segment, segment-core, and core-core interactions are assumed to be purely repulsive, while the segment-substrate interactions are attractive. We analyze changes in the internal structure of single hairy particles on the surfaces with the increasing strength of the segment-substrate interactions.

Effects of land use and climate on carbon and nitrogen pool partitioning in European mountain grasslands.

European mountain grasslands are increasingly affected by land-use changes and climate, which have been suggested to exert important controls on grassland carbon (C) and nitrogen (N) pools. However, so far there has been no synthetic study on whether and how land-use changes and climate interactively affect the partitioning of these pools amongst the different grassland compartments. We analyzed the partitioning of C and N pools of 36 European mountain grasslands differing in land-use and climate with respect to above- and belowground phytomass, litter and topsoil (top 23 cm).

Adsorption on Ligand-Tethered Nanoparticles.

We use coarse-grained molecular dynamics simulations to study adsorption on ligand-tethered particles. Nanoparticles with attached flexible and stiff ligands are considered. We discuss how the excess adsorption isotherm, the thickness of the polymer corona, and its morphology depend on the number of ligands, their length, the size of the core, and the interaction parameters.

Adsorption-induced co-assembly of hairy and isotropic particles.

We use coarse-grained molecular dynamics simulations to study the behavior of polymer-tethered particles immersed in fluids of isotropic particles. Particles modified with weakly anchored, mobile ligands are considered. We discuss how the concentration of fluid particles affects the morphology of an isolated hairy particle.

Molecular dynamics simulations of mono-tethered particles at solid surfaces.

We use molecular dynamics simulations to study the behavior of mono-tethered nanoparticles on solid surfaces. In our model particle-particle and particle-chain interactions are repulsive, while chain-chain interactions are attractive. Two surfaces are considered: the first one attracts particles and the other attracts chains.

Fate of PAHs in the vicinity of aluminum smelter.

Investigation has been carried out in the vicinity of an aluminum smelter located in the industrialized town of Konin. Concentrations of 14 polycyclic aromatic hydrocarbons (PAHs) were determined in grass, spruce needles, and soil collected in the period of the smelter operation and several years after its closing. Significant changes in the quantity of PAHs and their profiles observed in the two measuring periods, stressing the importance of aluminum production with regard to PAH emission.

Self-assembly of hairy disks in two dimensions - insights from molecular simulations.

We report the results of large scale molecular dynamics simulations conducted for sparsely grafted disks in two-dimensional systems. The main goal of this work is to show how the ligand mobility influences the self-assembly of particles decorated with short chains. We also analyze the impact of the chain length on the structure of dense phases.

Interspecific differences in foliar 1 PAHs load between Scots pine, birch, and wild rosemary from three polish peat bogs.

Pine needles are one of the most commonly used bioindicators of polycyclic aromatic hydrocarbons (PAHs) in the environment. Therefore, the main objective of the current research was the assessment of PAHs accumulation potential of Scots pine (Pinus sylvestris L.) needles in comparison to wild rosemary (Rhododendron tomentosum Harmaja) and birch (Betula spp.

Forest floor vegetation response to nitrogen deposition in Europe.

Chronic nitrogen (N) deposition is a threat to biodiversity that results from the eutrophication of ecosystems. We studied long-term monitoring data from 28 forest sites with a total of 1,335 permanent forest floor vegetation plots from northern Fennoscandia to southern Italy to analyse temporal trends in vascular plant species cover and diversity. We found that the cover of plant species which prefer nutrient-poor soils (oligotrophic species) decreased the more the measured N deposition exceeded the empirical critical load (CL) for eutrophication effects (P = 0.

Contamination of Polish national parks with heavy metals.

The paper presents results of screening analysis of all Polish national parks (23) contamination with Cd, Cu, Pb and Zn on the basis of a three-level characteristic of heavy metal presence in Norway spruce stands: accumulation on the needle surface, concentration of heavy metals in spruce needles and concentration of bioavailable heavy metals in the soil. Based on the obtained results, the classification of forest ecosystem hazard in national parks with heavy metals was made using synthetic indicators. It was found out that Babiogórski, Magurski, Ojcowski and Gorczański National Parks, located in the southern part of the country, were the most polluted with heavy metals.