Superoperator formalism and chemisorption theory

It is pointed out that the superoperator formalism, developed for the calculation of ionization potentials in molecular physics, is a very powerful tool in chemisorption theory. This is demonstrated by applying the formalism to the Anderson-Newns model and by showing how the different approximate solutions can be obtained by elegant and systematic procedures. It is also pointed out that using the formalism, solutions for more complicated hamiltonians can easily be obtained.

The potential of certification for conservation and management of wild MAP resources

Medicinal and aromatic plants (MAPs) are an integral part of our biodiversity. In majority of MAP rich countries, wild collection practices are the livelihood options for a large number of rural peoples and MAPs play a significant role in socio-economic development of their communities. Recent concern over the alarming situation of the status of wild MAP resources, raw material quality, as well as social exploitation of rural communities, leads to the idea of certification for MAP resource conservation and management. On one hand, while MAP certification addresses environmental, social and economic perspectives of MAP resources, on the other hand, it ensures multi-stakeholder participation in improvement of the MAP sector. This paper presents an overview of MAP certification encompassing its different parameters, current scenario (Indian background), implementation strategies as well as stakeholders’ role in MAP conservation. It also highlights Indian initiatives in this direction.

Comparison of elasticity and shell-theory solutions for finite circular cylindrical shells

A finite circular cylindrical shell subjected to a band of uniform pressure on its outer rim was investigated, using three-dimensional elasticity theory and the classical shell theories of Timoshenko (or Donnell) and Flügge. Detailed comparison of the resulting stresses and displacements was carried out for shells with ratios of inner to outer shell radii equal to 0.80, 0.85, 0.90 and 0.93 and for ratios of outer shell diameter to length of the shell equal to 0.5, 1 and 2. The ratio of band width to length of the shell was 0.2 and Poisson's ratio used was equal to 0.3. An Elliot 803 digital computer was used for numerical computations.

Aquatic Ecosystems: Conservation, Restoration and Management

Aquatic Ecosystems perform numerous valuable environmental functions. They recycle nutrients, purify water, recharge ground water, augment and maintain stream flow, and provide habitat for a wide variety of flora and fauna and recreation for people. A rapid population increase accompanied by unplanned developmental works has led to the pollution of surface waters due to residential, agricultural, commercial and industrial wastes/effluents and decline in the number of water bodies. Increased demands for drainage of wetlands have been accommodated by channelisation, resulting in further loss of stream habitat, which has led to aquatic organisms becoming extinct or imperiled in increasing numbers and to the impairment of many beneficial uses of water, including drinking, swimming and fishing. Various anthropogenic activities have altered the physical, chemical and biological processes within aquatic ecosystems. An integrated and accelerated effort toward environmental restoration and preservation is needed to stop further degradation of these fragile ecosystems. Failure to restore these ecosystems will result in sharply increased environmental costs later, in the extinction of species or ecosystem types, and in permanent ecological damage.

Analysis of Parameter Values in the van der Waals and Platteeuw Theory for Methane Hydrates Using Monte Carlo Molecular Simulations

The van der Waals and Platteuw (vdVVP) theory has been successfully used to model the thermodynamics of gas hydrates. However, earlier studies have shown that this could be due to the presence of a large number of adjustable parameters whose values are obtained through regression with experimental data. To test this assertion, we carry out a systematic and rigorous study of the performance of various models of vdWP theory that have been proposed over the years. The hydrate phase equilibrium data used for this study is obtained from Monte Carlo molecular simulations of methane hydrates. The parameters of the vdWP theory are regressed from this equilibrium data and compared with their true values obtained directly from simulations. This comparison reveals that (i) methane-water interactions beyond the first cage and methane-methane interactions make a significant contribution to the partition function and thus cannot be neglected, (ii) the rigorous Monte Carlo integration should be used to evaluate the Langmuir constant instead of the spherical smoothed cell approximation, (iii) the parameter values describing the methane-water interactions cannot be correctly regressed from the equilibrium data using the vdVVP theory in its present form, (iv) the regressed empty hydrate property values closely match their true values irrespective of the level of rigor in the theory, and (v) the flexibility of the water lattice forming the hydrate phase needs to be incorporated in the vdWP theory. Since methane is among the simplest of hydrate forming molecules, the conclusions from this study should also hold true for more complicated hydrate guest molecules.