We present here the computational chemistry methods our group uses to investigate the physical and chemical properties of nanoporous materials and adsorbed fluids. We highlight the multiple time and length scales at which these properties can be examined and discuss the computational tools relevant to each scale. Furthermore, we include the key points to considerupsides, downsides, and possibl...

Motivated by the recently improved knowledge on the kinematic and chemical properties of the Galactic metal-poor stars, we present the numerical simulation for the formation of the Galactic stellar halo to interpret the observational results. As a model for the Galaxy contraction, we adopt the currently standard theory of galaxy formation based on the hierarchical assembly of the cold dark matt...

The present study is one step towards sustainable agricultural practices. The results observed for chemical properties like pH, electrical conductivity, available nitrogen, available phosphorus, available potassium, available sulphur, zinc content, organic carbon content and organic matter of vertisol soil indicated that these properties were significantly enchanced at different stages of Soybe...

The dissolution pattern of alpha and beta activity from gypsum sample when leached with 50,100,150ml of rain water,at different time intervals was determined. The dissolution rate increases if the solid to liquid ratio(gypsum to rain water volume) increases.It also increases with time , even though faster in the initial stages, slower in the subsequent stages. The dissolution rates are also inf...

Climate change has great significance in Asia in general, and India in particular; and atmospheric aerosols have a decisive role in this. The climate forcing potential of aerosols is closely linked to their optical, microphysical and chemical properties. Systematic efforts to characterize these properties over the Indian region started about 5 decades ago, and evolved over the years through con...

The physico-chemical properties of colloidal nanoparticles (NPs) are influenced by their local environment, as, in turn, the local environment influences the physico-chemical properties of the NPs. In other words, the local environment around NPs has a profound impact on the NPs, and it is different from bulk due to interaction with the NP surface. So far, this important effect has not been add...

1. A considerable advance has been made in the study of the fulvic extract of soil organic matter. A new method has been introduced whereby the fulvic extract is separated by a selective adsorption technique into four distinct fractions. 2. These fractions have been obtained from the fulvic extracts from four widely diverse types of soil. 3. A preliminary examination of the chemical properties ...

The present review aims to show the state of the art of oxidation mechanisms occurring especially in white wines by taking into account knowledge from different fields in relation to the subject. It is therefore divided into three main parts. First, the mechanisms of oxidation relevant to white wine are discussed in the light of recent scientific literature. Next, the phenomenon of oxygen solub...

Robotic microhandling is a promising way to assemble microcomponents in order to manufacture a new generation of hybrid microelectromechanical systems. However, at the scale of several micrometers, the adhesion phenomenon highly perturbs the micro-object release and positioning. This phenomenon is directly linked to both the object and the gripper surface chemical composition. We propose to con...

The digested waste water sludge from the Zeinein station, North of Cairo was characterized for its physical and chemical properties. The flow properties of this sludge were followed at different temperatures, for different levels of solid content. The yield strength of the sludge was found to increase linearly with temperature. The apparent viscosity was related to absolute temperature by an eq...