Prediction of Binding Free Energies for Dyes Removal Using Computational Chemistry

Dye removal is an environmental concern because the textile industries have been increasing by world population and industrialization. Adsorption is the technique to find adsorbents to remove dyes from wastewater. This method is low-cost and effective for dye removal. This work tries to develop effective adsorbents using the computational approach because it will be able to predict the possibility of the adsorbents for specific dyes in terms of binding free energies. The computational approach is faster and cheaper than the experimental approach in case of finding the best adsorbents. All starting structures of dyes and adsorbents are optimized by quantum calculation. The complexes between dyes and adsorbents are generated by the docking method. The obtained binding free energies from docking are compared to binding free energies from the experimental data. The calculated energies can be ranked as same as the experimental results. In addition, this work also shows the possible orientation of the complexes. This work used two experimental groups of the complexes of the dyes and adsorbents. In the first group, there are chitosan (adsorbent) and two dyes (reactive red (RR) and direct sun yellow (DY)). In the second group, there are poly(1,2-epoxy-3-phenoxy) propane (PEPP), which is the adsorbent, and 2 dyes of bromocresol green (BCG) and alizarin yellow (AY).

The Application of Distributed Optical Strain Sensing to Measure Rock Bolt Deformation Subject to Bedding Shear

Shear displacement along bedding defects is a well-recognised behaviour when tunnelling and mining in stratified rock. This deformation can affect the durability and integrity of installed rock bolts. In-situ monitoring of rock bolt deformation under bedding shear cannot be accurately derived from traditional strain gauge bolts as sensors are too large and spaced too far apart to accurately assess concentrated displacement along discrete defects. A possible solution to this is the use of fiber optic technologies developed for precision monitoring. Distributed Optic Sensor (DOS) embedded rock bolts were installed in a tunnel project with the aim of measuring the bolt deformation profile under significant shear displacements. This technology successfully measured the 3D strain distribution along the bolts when subjected to bedding shear and resolved the axial and lateral strain constituents in order to determine the deformational geometry of the bolts. The results are compared well with the current visual method for monitoring shear displacement using borescope holes, considering this method as suitable.

Determination of Post-Failure Characteristic Behaviour of Rocks under Conventional Method Based on the Mechanism of Rock Deformation Process

This work is intended to study the post-failure characteristic behaviour of rocks and the techniques of controlling the post-failure regime based on the mechanism of rocks deformation process. It is impossible to determine the post-failure regime of rocks using conventional laboratory testing equipment. This is because most testing machines are soft and therefore no information can be obtained after the peak load. Stress-strain deformation tests were conducted using both conventional and unconventional method (i.e. the closed loop servo-controlled testing machine) in accordance to ISRM standard. Normalised pre-failure curves were constructed to show the stages in the deformation process. The first type contains the Class I and progress to Class II with low strength soft brittle rocks. The second type shows entirely Class II characteristic behaviour. The third type is extremely brittle under axial loading, resulted in explosive failure, so its class could not be determined. The difficulty in obtaining the post-failure curves increases as the total volumetric strain approaches a positive value. The author’s use of normalised pre-failure curves enables identification of additional type of deformation process with very brittle response under axial loading. Testing the third type without confinement could cause equipment damage. Identification of the deformation process with the rock classes using conventional test could guide the personnel conducting tests using closed-loop servo-controlled system, to avoid equipment damage when testing rocks with third type deformation process so that testing is performed safely. It has also improved our understanding on total specimen failure and brittleness of rocks (e.g. brittle for Class II and less brittle or ductile for Class I).

The Magnetic Susceptibility of the Late Quaternary Loess in North-East of Iran and Its Correlation with Other Palaeoclimatical Parameters

Magnetic susceptibility (χ) is operational to identify of late quaternary glacial-interglacial cycles in loess-paleosol sequences. It is well accepted that many loess-paleosol sequences bear witness to cold-dry/warm-humid periods, well known as glacial-interglacial cycles, respectively. For this study, loess-paleosol sequence of north-east of Iran was magnetically investigated. The study area is situated at about 8 km away of Neka city, on the main road of Sari-Behshahr, in Mazandaran Province, north of Iran. The youngest deposits of study area are the late Quaternary wind-blown accumulations. In this study, the total number of 117 samples was collected from loess-paleosols units. After that, the natural remnant magnetization (NRM) and magnetic susceptibility (MS) of the samples were measured. Variation of MS of more than 110 loess samples was plotted to reveal the correlation of the MS and paleoclimatic changes. This study aims reconstruction of climatic changes (glacial-interglacial and stadials-interstadials cycles). To confirm our results we compared MS (χ) and the curves of other investigations in paleoclimatology. This correspondence abled us to recognize worldly events in the study area such as: Younger Dryas, the Last Glacial Maximum (LGM), deglaciation of Northern Hemisphere etc. The obtained magnetic data indicate that during almost 50 ka, at least two glacial-interglacial periods occurred in north-east of Iran. Further, variation of χ values revealed short period of climatically cycles known as stadials-interstadials. We recognized 4 stadials and a single stadial as colder sub-periods for S0 (recently soil-paleosol) and S2 (lower paleosol), respectively, Moreover, we recognized 6 warmer sub-periods (interstadials) for L1 (upper loess) and one interstadial L2 (lower loess).

Economic Model of Sustainable Value Chain in Passenger Waterway Transportation Service

The service of passenger waterway transportation lacks economic models that help in designing and implementing strategies to ensure its sustainability in several aspects (economic, social and environmental). The size of costs, though not the only one, is of particular importance in these models. However, traditionally, cost management has been focused only on reducing production costs, for the purpose of companies to keep prices low and gain market competitiveness. Although, with all the technological advances, and other restrictions imposed by the market in terms of service, in the case of passengers waterway transportation: intermodal competition; quality of service; or by regulatory environment for public concession and; in the aspect of business: to stay in the market with natural, demand and institutional restrictions, this view is not enough. Thus, there is an evolution of a traditional cost accounting to strategic cost management. On the other hand, it is important to consider other important dimensions and recognize that companies no longer exist in isolation, but they are part of highly integrated value and supplies chains. Therefore, this work will explore and analyze the sustainable value chain of passenger waterway transportation service using the tools of strategic cost management. The method will start from three components of analysis: (1) definition of basic elements of sustainable value chain; (2) identification of main restrictions to the chain development and aspects critical for service sustainability; (3) development of a cost model and propositions to overcome the bottlenecks found, to add value. Whether in the internal cost structure of the company; operational cost reduction strategies; in search of new markets, or to establish new partnerships or even; in the broadest level, in terms of investments in infrastructure or recommendations involving governance decisions to improve the current institutional environment. The case study will be developed in passenger transport companies located in the Lower Amazon, consolidated in this market, with defined enterprise structure of business sustainability, and who have already been willing to collaborate with the investigation. As results, it is expected to understand the cost structures that support sustainable value chains, namely, costs of activities and relevant cost objects in order to determine the cost drivers, profitability margins, cost reduction opportunities and conditions conducive to competitive advantages related to the different strategic options to cost leadership, differentiation or approach. Finally, in the model to be developed, the proper characterization of cost structure and value creation in transport processes under study may constitute reference points for future more sophisticated applied works of optimizing the resources involved and supporting the decision making, in particular with regard to operations research and quantitative methods more robust.

Development of One-Axis Didactic Solar Tracker for Photovoltaic Panels

In recent years, solar energy has established itself as one of the main sources of renewable energy, gaining a large space in electricity generation around the world. However, due to the low performance of photovoltaic panels, technologies need to be sought to maximize the production of electricity. In this regard, the present study aims to develop a prototype of solar tracker for didactics applications, controlled with the Arduino® platform, that enables the movement of photovoltaic plates in relation to the sun positions throughout the day through an electromechanical system, optimizing, thus, the efficiency of solar photovoltaic generation and improvements for the photovoltaic effect. The solar tracking technology developed in this work was presented of the shape oral and practical in two middle schools in the municipality of Mossoró/RN, being one of the public network and other of the private network, always keeping the average age of the students, in the case, around 16 years, contemplating an average of 60 students in each of the visits. Thus, it is concluded that the present study contributed substantially to the dissemination of knowledge concerning the photovoltaic solar generation, as well as the study of solar trackers, thus arousing the interest and curiosity of the students regarding the thematic approached.

The Effect of Magnetite Particle Size on Methane Production by Fresh and Degassed Anaerobic Sludge

Anaerobic batch experiments were conducted to investigate the effect of magnetite-supplementation (7 mM) on methane production from digested sludge undergoing two different microbial growth phases, namely fresh sludge (exponential growth phase) and degassed sludge (endogenous decay phase). Three different particle sizes were assessed: small (50 - 150 nm), medium (168 – 490 nm) and large (800 nm - 4.5 µm) particles. Results show that, in the case of the fresh sludge, magnetite significantly enhanced the methane production rate (up to 32%) and reduced the lag phase (by 15% - 41%) as compared to the control, regardless of the particle size used. However, the cumulative methane produced at the end of the incubation was comparable in all treatment and control bottles. In the case of the degassed sludge, only the medium-sized magnetite particles increased significantly the methane production rate (12% higher) as compared to the control. Small and large particles had little effect on the methane production rate but did result in an extended lag phase which led to significantly lower cumulative methane production at the end of the incubation period. These results suggest that magnetite produces a clear and positive effect on methane production only when an active and balanced microbial community is present in the anaerobic digester. It is concluded that, (i) the effect of magnetite particle size on increasing the methane production rate and reducing lag phase duration is strongly influenced by the initial metabolic state of the microbial consortium, and (ii) the particle size would positively affect the methane production if it is provided within the nanometer size range.

A Short Survey of Integrating Urban Agriculture and Environmental Planning

The growth of the agricultural sector is known as an essential way to achieve development goals in developing countries. Urban agriculture is a way to reduce the vulnerability of urban populations of the world toward global environmental change. It is a sustainable and efficient system to respond to the environmental, social and economic needs of the city, which leads to urban sustainability. Today, many local and national governments are developing urban agriculture as an effective tool in responding to challenges such as poverty, food security, and environmental problems. In this study, we follow a perspective based on urban agriculture literature in order to indicate the urban agriculture’s benefits in environmental planning strategies in non-western countries like Iran. The methodological approach adopted is based on qualitative approach and documentary studies. A total of 35 articles (mixed quantitative and qualitative methods studies) were studied in final analysis, which are published in relevant journals that focus on this subject. Studies show the wide range of positive benefits of urban agriculture on food security, nutrition outcomes, health outcomes, environmental outcomes, and social capital. However, there was no definitive conclusion about the negative effects of urban agriculture. This paper provides a conceptual and theoretical basis to know about urban agriculture and its roles in environmental planning, and also conclude the benefits of urban agriculture for researchers, practitioners, and policymakers who seek to create spaces in cities for implementation urban agriculture in future.