Volume 2, Issue 9 -

In all evacuation simulation tools, the space through which agents navigate and interact is represented by one the following methods, namely Coarse regions, Fine nodes and Continuous regions. Each of the spatial representation methods has its benefits and limitations. For instance, the Coarse approach allows simulations to be processed very rapidly, but is unable to represent the interactions of the agents from an individual perspective; the Continuous approach provides a detailed representation of agent movement and interaction but suffers from relatively poor computational performance. The Fine nodal approach presents a compromise between the Continuous and Coarse approaches such that it allows agent interaction to be modelled while providing good computational performance. Our approach for representing space in an evacuation simulation tool differs such that it allows evacuation simulations to be run using a combination of Coarse regions, Fine nodes and Continuous regions. This approach, which we call Hybrid Spatial Discretisation (HSD), is implemented within the buildingEXODUS evacuation simulation software. The HSD incorporates the benefits of each of the spatial representation methods whilst providing an optimal environment for representing agent movement and interaction. In this work, we demonstrate the effectiveness of the HSD through its application to a moderately large case comprising of an underground rail tunnel station with a population of 2,000 agents.

Polymers can be tailored to provide different benefits in Fabric & Home Care formulations depending on the monomers and modifications used, such as avoiding dye transfer inhibition in the wash, modifying the surface of tiles or increasing the viscosity and providing suspension properties to consumer products. Specifically, the rheology modification properties of synthetic and natural polymers are discussed in this chapter. The choice of a polymeric rheology modifier will depend on the formulation ingredients (charges, functional groups), the type and the amount of surfactants, the pH and the desired rheology modification. Natural polymeric rheology modifiers have been traditionally used in the food industry, being xanthan gum one of the most well-known ones. On the contrary, synthetic rheology modifiers are preferably used in paints & coats, textile printing and cleaning products.

The dications MgS 2+ and SiN 2+ , experimentally observed by mass spectroscopy, are theoretically studied here. The potential energy curves of the electronic states of the two dications MgS 2+ and SiN 2+ are mapped and their spectroscopic parameters determined by analysis of the electronic, vibrational and rotational wave functions obtained by using complete active space self-consistent field (CASSCF) calculations, followed by the internally contracted multi-reference configuration interaction (MRCI)+Q associated with the AV5Z correlation consistent atomic orbitals basis sets. In the following, besides the characterization of the potential energy curves, excitation and dissociation energies, spectroscopic constants and a double-ionization spectra of MgS and SiN are determined using the transition moments values and Franck–Condon factors. The electronic ground states of the two dications appear to be of X 3 ∑ − nature for MgS 2+ and X 4 ∑ − for SiN 2+ and shows potential wells of about 1.20 eV and 1.40 eV, respectively. Several excited states of these doubly charged molecules also depicted here are slightly bound. The adiabatic double-ionization energies were deduced, at 21.4 eV and 18.4 eV, respectively, from the potential energy curves of the electronic ground states of the neutral and charged species. The neutral molecules, since involved, are also investigated here. From all these results, the experimental lines of the mass spectra of MgS and SiN could be partly assigned.

When the author first became involved with the Green Chemistry movement, he noted that his colleagues in industry who were involved in one of the ACS Green Chemistry Institute ® industrial roundtables emphasized the take-home message they described as the “triple bottom line.” They noted that introducing Green Chemistry in industrial settings had economic, social, and environmental benefits. As someone who first went to school at age 5, and has been “going to school” most days for 65 years, it was easy for the author to see why introducing Green Chemistry into academics had similar beneficial effects within the context of economic, social and environmental domains at the college/university level. He was prepared to understand why faculty who had taught traditional courses often saw the advantage of incorporating Green Chemistry into the courses they teach. What was not as obvious is why students who were encountering chemistry for the first time were often equally passionate about the Green Chemistry movement. Recent attention has been paid, however, to a model that brings clarity to the hitherto vague term of “relevance” that might explain why integrating Green Chemistry into the undergraduate chemistry classroom can achieve a “quadruple bottom-line” for students because of potentially positive effects of adding a domain of “relevance” to the existing economic, social, and environmental domains.

The halogen and solvent effects on the structure of 4-bromo-2-halogenobenzaldehydes [C 7 H 4 BrXO; X = F (BFB), Cl (BCB) or Br (BBB)] were investigated by the density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods. The B3LYP functional and HF and MP2 levels of theory were used with the 6-311+G(3df,p) or aug-cc-pVDZ basis sets. Computations were focused on the cis and trans conformers of the investigated compounds in the gas phase and solutions of 18 different polar or non-polar organic solvents. The computed frequencies of the C=O stretching vibration of the compounds were correlated with some empirical solvent parameters such as the Kirkwood–Bauer–Magat (KBM) equation, solvent acceptor number (AN), Swain parameters and linear solvation energy relationships (LSERs). The electronic properties of the compounds were also examined. The present work explores the effects of the medium and halogen on the conformation, geometrical parameters, dipole moment, ν(C=O) vibration, UV data, frontier orbitals and density-of-states diagram of the compounds. The findings of this research can be useful for studies on benzaldehydes.

Encapsulation offers broad scope of applications. It can be used to deliver almost everything from advanced drugs to unique consumer sensory experiences; it could be also employed as a protection system or a sensing material. This cutting-edge technology undergoes rapid growth in both academic and industrial conditions. Research in this matter is continuing to find a new application of microcapsules as well as to improve the methods of their fabrication. Therefore, in this review, we focus on the art of the encapsulation technology to provide the readers with a comprehensive and in-depth understanding of up-to-day development of microcapsule preparation methods. Our goal is to help identify the major encapsulation processes and by doing so maximize the potential value of ongoing research efforts.

Abstract: Pantograph equation is a delay differential equation (DDE) arising in electrodynamics. This paper studies the pantograph equation with two delays. The existence, uniqueness, stability and convergence results for DDEs are presented. The series solution of the proposed equation is obtained by using Daftardar-Gejji and Jafari method and given in terms of a special function. This new special function has several properties and relations with other functions. Further, we generalize the proposed equation to fractional-order case and obtain its solution.