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).

A Preliminary Analysis of Sustainable Development in the Belgrade Metropolitan Area

The paper provides a comprehensive analysis of the sustainable development in the Belgrade Metropolitan Region - BMA (level NUTS 2) preliminary evaluating the three chosen components: 1) economic growth and developmental changes; 2) competitiveness; and 3) territorial concentration and industrial specialization. First, we identified the main results of development changes and economic growth by applying Shift-share analysis on the metropolitan level. Second, the empirical evaluation of competitiveness in the BMA is based on the analysis of absolute and relative values of eight indicators by Spider method. Paper shows that the consideration of the national share, industrial mix and metropolitan/regional share in total Shift share of the BMA, as well as economic/functional specialization of the BMA indicate very strong process of deindustrialization. Allocative component of the BMA economic growth has positive value, reflecting the above-average sector productivity compared to the national average. Third, the important positive role of metropolitan/regional component in decomposition of the BMA economic growth is highlighted as one of the key results. Finally, comparative analysis of the industrial territorial concentration in the BMA in relation to Serbia is based on location quotient (LQ) or Balassa index as a valid measure. The results indicate absolute and relative differences in decrease of industry territorial concentration as well as inefficiency of utilizing territorial capital in the BMA. Results are important for the increase of regional competitiveness and territorial distribution in this area as well as for improvement of sustainable metropolitan and sector policies, planning and governance on this level.

Design of a Cost Effective Off-Grid Wind-Diesel Hybrid Power System in an Island of Bangladesh

Bangladesh is a developing country with large population. Demand of electrical energy is increasing day by day because of increasing population and industrialization. But due to limited resources, people here are suffering from power crisis problem which is considered as a major obstacle to the economic development. In most of the cases, it is extremely difficult to extend high tension transmission lines to some of the places that are separated from the mainland. Renewable energy is considered to be the right choice for providing clean energy to these remote settlements. This paper proposes a cost effective design of off-grid wind-diesel hybrid power system using combined heat and power (CHP) technology in a grid isolated island, Sandwip, Bangladesh. Design and simulation of the wind-diesel hybrid power system is performed considering different factors for the island Sandwip. Detailed economic analysis and comparison with solar PV system clearly reveals that wind-diesel hybrid power system can be a cost effective solution for the isolated island like Sandwip.