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Combustion Products
Published in Björn Karlsson, James G. Quintiere, Nils Johansson, Björn Karlsson, Enclosure Fire Dynamics, 2022
Björn Karlsson, James G. Quintiere
Stoichiometry: A balanced chemical equation defines the stoichiometry of a reaction; stoichiometry gives the exact proportions of the reactants for complete conversion to products, where no reactants are remaining. The stoichiometric ratio is the ideal reaction mass fuel to oxygen (or air) ratio and is given the symbol r.
Introduction to Nanosensors
Published in Vinod Kumar Khanna, Nanosensors, 2021
A chemical reaction is the interaction between one or more elements or compounds called reactants to form new elements or compounds termed products. A chemical equation is the symbolic representation of a chemical reaction; for example, potassium chlorate decomposes, on heating in the presence of manganese dioxide powder, into potassium chloride and oxygen. Manganese dioxide acts as a catalyst, a substance that increases the speed of a reaction without any changes in itself. Symbolically, 2KClO3=2KCl+3O2MnO2catalyst
Invertibility
Published in Crista Arangala, Exploring Linear Algebra, 2019
In a chemical equation for a reaction, the substances reacting (the reactants) are on the left side of the equation with an arrow pointing to the substances being formed on the right side of the equation (the products). The law of conservation of mass states that no atoms can be created or destroyed in a chemical reaction, so the number of atoms that are present in the reactants in a chemical reaction has to balance the number of atoms that are present in the products of that reaction. Thus, in order to write a correct chemical equation, we must balance all of the atoms on the left side of the reaction with the atoms on the right side. Each of the reactants and products has a vector affiliated with it, where the number of atoms of each element present are the entries of the individual vectors. For example in the unbalanced equation x1N2 + x2H2 → x3N H3, we wish to find x1, x2, and x3 that balance the equation. We define each reactant\product in terms of a vector representing the numbers of atoms of each element in the compound.
Removal of dimethyl sulphide via a bio-scrubber under anoxic conditions
Published in Environmental Technology, 2020
Rasha Khalid Sabri Mhemid, Kadir Alp, Mustafa Turker, Ilker Akmirza, Mohammed Salim Shihab
The energy required for the growth and maintenance from oxidation–reduction reactions can be obtained from microorganisms by oxidizing inorganic and organic materials [34]. The electron donor (food substrate for the organism) and the electron acceptor (oxygen) are playing an important role in oxidation–reduction reactions under aerobic conditions. Under anaerobic or anoxic conditions, other electron acceptors in energy metabolism can be used by some microorganisms including NO3−, SO42− and CO2. In a chemical equation, the quantitative relationships between reactants and products can be defined as stoichiometry. In this study, the thermodynamic approach [35] was used to calculate the reaction stoichiometry and the biomass yield (YX/D) for biological DMS oxidation. The following stoichiometric equations were derived from the thermodynamic analysis presented in the appendix. When NO3− was used as an electron acceptor and as a nitrogen source for the biomass, the end products were as follows:
Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory
Published in Molecular Physics, 2018
Joshua A. Black, Peter J. Knowles
In order to manage and coordinate sets of computations on all of the species involved in a collection of chemical reactions, we have developed a computational framework associated with the Molpro [14] quantum chemistry package. The principal entity is a database, which is a complete specification of a number of chemical reactions together with one instance of the structure, energies and other properties of every chemical species involved. The database contains the following components: A master file, which expresses through the XML language the definition of a number of chemical reactions, together with reference to further XML files giving the data for each chemical species. The chemical reaction is specified as a list of chemical species, each of which is assigned a stoichiometry, which is the number of times it appears on the right-hand side of the balanced chemical equation (i.e. reactants will have negative stoichiometry). Special markup can be used to tag, for example, transition states.For each chemical species involved in one or more of the reactions, an XML file that contains the geometry of the molecule and its calculated energy, as well as any other computed properties. This file is normally produced directly by Molpro.For each chemical species, a Molpro input file that will run a job with the database-contained geometry.A master Molpro input file, which is included by each of the molecule input files, which can be used to specify the quantum chemistry ansatz (e.g. basis set, method, density functional, etc.) that will be used for each molecule.