Explicit solvation thermodynamics in ionic solution: extending grid inhomogeneous solvation theory to solvation free energy of salt–water mixtures

Hydration thermodynamics play a fundamental role in fields ranging from the pharmaceutical industry to environmental research. Numerous methods exist to predict solvation thermodynamics of compounds ranging from small molecules to large biomolecules. Arguably the most precise methods are those based on molecular dynamics (MD) simulations in explicit solvent. One theory that has seen increased use is inhomogeneous solvation theory (IST). However, while many applications require accurate description of salt–water mixtures, no implementation of IST is currently able to estimate solvation properties involving more than one solvent species. Here, we present an extension to grid inhomogeneous solvation theory (GIST) that can take salt contributions into account. At the example of carbazole in 1 M NaCl solution, we compute the solvation energy as well as first and second order entropies. While the effect of the first order ion entropy is small, both the water–water and water–ion entropies contribute strongly. We show that the water–ion entropies are efficiently approximated using the Kirkwood superposition approximation. However, this approach cannot be applied to the water–water entropy. Furthermore, we test the quantitative validity of our method by computing salting-out coefficients and comparing them to experimental data. We find a good correlation to experimental salting-out constants, while the absolute values are overpredicted due to the approximate second order entropy. Since ions are frequently used in MD, either to neutralize the system or as a part of the investigated process, our method greatly extends the applicability of GIST. The use-cases range from biopharmaceuticals, where many assays require high salt concentrations, to environmental research, where solubility in sea water is important to model the fate of organic substances.

Bond between Fibre-Reinforced Polymer Tubes and Sea Water Sea Sand Concrete: Mechanisms and Effective Parameters: Critical Overview and Discussion

Using fibre-reinforced polymers (FRP) in construction avoids corrosion issues associated with the use of traditional steel reinforcement, while seawater and sea sand concrete (SWSSC) reduces environmental issues and resource shortages caused by the production of traditional concrete. The paper gives an overview of the current research on the bond performance between FRP tube and concrete with particular focus on SWSSC. The review follows a thematic broad-to-narrow approach. It reflects on the current research around the significance and application of FRP and SWSSC and discusses important issues around the bond strength and cyclic behaviour of tubular composites. A review of recent studies of bond strength between FRP and concrete and steel and concrete under static or cyclic loading using pushout tests is presented. In addition, the influence of different parameters on the pushout test results are summarised. Finally, recommendations for future studies are proposed.

Environmental factors shape the culturable bacterial diversity in deep-sea water and surface sediments from the Mariana Trench

Hailed as "The Fourth Pole", the Mariana Trench is the deepest part of the ocean. The microbial diversity in it is extremely complicated, which might be caused by the unique environmental factors such as high salinity, low temperature, high hydrostatic pressure, and limited nutrition. Based on 4 seawater samples and 4 sediment samples obtained from the Mariana Trench, we isolated and fostered the microorganism clones with kinds of culture mediums and high-throughput culturing. By using the molecular identification methods based on PCR of 16S rDNA and ITS gene, 1266 bacterial strains in total were isolated and identified, which affiliated to 7 classes, 16 orders, 25 families and 36 genera in four phyla：Proteobacteria, Firmicutes, Actinobacteria and Bacteroidetes. Strains in genera Halomonas, Pseudoaltermonas were the dominant bacteria isolated from the samples. With Mantel tests on the sample-environmental parameter matrix, the sample-environmental organic matter diversity matrix and the sample-microbial diversity matrix, we concluded that the environmental parameters and the organic matters in the condition can shape the culturable bacterial diversity in deep-sea water and surface sediments from the Mariana Trench.

Effects of ultrasonic surface rolling and plasma nitriding on microstructure and properties of 690TT alloy

To enhance surface mechanical properties of 690TT alloy, a surface hardening layer was obtained by ultrasonic surface rolling treatment (USRT) and plasma nitriding (PN). The surface morphology, mechanical properties, wear performances and corrosion performance were investigated by XRD, TEM, using a hardness tester, tensile tester, wear tester and electrochemical workstation in simulated sea water, respectively. The results showed that USRT as the pre-treatment can strengthen the performance of PN treatment samples. The USRT+PN treated sample showed existence of dislocation tangles and twin grains. Corrosion resistance in simulated sea water was enhanced. The surface microhardness increased by 180 % compared with the untreated sample, the cross-sectional hardness gradually decreased till the depth of 1mm. The tensile strength increased by a factor of 90% while the elongation decreased by only 40%. The wear scar was narrower and shallower than the untreated sample and the wear rate was significantly dropped. This paper aims at providing a new method for surface strengthening of 690TT alloy.

Climate change is raising sea levels in the oceans

Climate change is a global challenge, directly affecting ecosystems, environmental resources, and human life. One of its consequences is the problem of sea and ocean surface area, sea level is increasing day by day. In the long term, global mean sea level will continue to change continuously. The birth of the industrial revolution has made the Earth warmer and warmer, followed by many different causes leading to the rapid increase of global sea level: melting ice, expansion of the sea. water and changes in the Earth's climate system, costing the global economy trillions of dollars with many development consequences.

Marine Heatwaves in the Chesapeake Bay

Prolonged events of anomalously warm sea water temperature, or marine heatwaves (MHWs), have major detrimental effects to marine ecosystems and the world's economy. While frequency, duration and intensity of MHWs have been observed to increase in the global oceans, little is known about their potential occurrence and variability in estuarine systems due to limited data in these environments. In the present study we analyzed a novel data set with over three decades of continuous in situ temperature records to investigate MHWs in the largest and most productive estuary in the US: the Chesapeake Bay. MHWs occurred on average twice per year and lasted 11 days, resulting in 22 MHW days per year in the bay. Average intensities of MHWs were 3°C, with maximum peaks varying between 6 and 8°C, and yearly cumulative intensities of 72°C × days on average. Large co-occurrence of MHW events was observed between different regions of the bay (50–65%), and also between Chesapeake Bay and the Mid-Atlantic Bight (40–50%). These large co-occurrences, with relatively short lags (2–5 days), suggest that coherent large-scale air-sea heat flux is the dominant driver of MHWs in this region. MHWs were also linked to large-scale climate modes of variability: enhancement of MHW days in the Upper Bay were associated with the positive phase of Niño 1+2, while enhancement and suppression of MHW days in both the Mid and Lower Bay were associated with positive and negative phases of North Atlantic Oscillation, respectively. Finally, as a result of long-term warming of the Chesapeake Bay, significant trends were detected for MHW frequency, MHW days and yearly cumulative intensity. If these trends persist, by the end of the century the Chesapeake Bay will reach a semi-permanent MHW state, when extreme temperatures will be present over half of the year, and thus could have devastating impacts to the bay ecosystem, exacerbating eutrophication, increasing the severity of hypoxic events, killing benthic communities, causing shifts in species composition and decline in important commercial fishery species. Improving our basic understanding of MHWs in estuarine regions is necessary for their future predictability and to guide management decisions in these valuable environments.