...................................................................................................................................... i Acknowledgements .................................................................................................................... ii Table of Content .............................................................................................................

This paper describes an attempt to enable computers to generate truly novel conceptual designs of three dimensional solid objects by using genetic algorithms (GAs). These designs are represented using spatial partitions of 'stretched cubes' with optional intersecting planes [1]. Each individual three-dimensional solid object has its functionality specified by an explicit objective function, whi...

Description in terms of physicochemistry and heat and mass transfer of the combustion front propagation in a reactive porous medium remains a challenge to science. The literature about this subject distinguishes two types of problems. The first considers only combustion of the gas phase inside an inert solid porous medium. In the second type, the solid phase reacts with the gas phase; Chemical ...

A one-dimensional multiphase numerical model is developed to simulate the vertical settlement involving liquid and gas flows in a deformable settling municipal solid waste MSW landfill. MSW is represented by a chemical composition, and a global stoichiometric reaction is used to estimate the maximum yield of gas generation. Following the general assumption accepted in the literature, the gas ge...

Inverse gas chromatography (IGC) represents a unique refinement of a classic chromatographic method has the potential to unlock some of the more difficult to measure physicochemical properties of pharmaceutical materials such as powder surface energies, acid/base/polar functionality of surfaces, diffusion kinetics, solubility parameters, surface heterogeneity and phase transition temperatures/h...

Quantitative agreement with experimental data for adsorption of argon, krypton, and methane in high-silica zeolites is achieved with a molecular model, which (1) assumes pairwise additivity of intermolecular forces; (2) ignores partially concealed silicon atoms and lumps their dispersion energy with the oxygen atoms; (3) neglects energy induced by the weak electric field inside silicalite; (4) ...

The thermodynamic properties of gases have been understood primarily through phase diagrams of bulk gases. However, observations of gases confined in a nanometer space have posed a challenge to the principles of classical thermodynamics. Here, we investigated interfacial structures comprising either O2 or N2 between water and a hydrophobic solid surface by using advanced atomic force microscopy...

The ground-state properties of spin polarized hydrogen H↓ in two dimensions (2D) are obtained by means of diffusion Monte Carlo calculations. Using the most accurate to date ab initio H↓–H↓ interatomic potential we have studied hydrogen gas phase, from the very dilute regime until densities above its freezing point. For very low densities, the equation of state of the gas can be described in te...

Catalytic converters are used for minimizing the release of pollutants to the atmosphere. It is during the warm-up period that hydrocarbons are seen to be released in appreciable quantities from these converters. In this paper the conversion of a fast oxidizing hydrocarbon propylene is analysed using two numerical methods. The quasi steady state method assumes the accumulation terms to be negli...

The numerical simulation of fully developed gas–solid flow in a horizontal pipe is done using the eulerian-eulerian approach, also known as two fluids modeling as both phases are treated as continuum and inter-penetrating continua. The solid phase stresses are modeled using kinetic theory of granular flow (KTGF). The computed results for velocity profiles and pressure drop are compared with the...