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  2. Oxygen balance - Wikipedia

    en.wikipedia.org/wiki/Oxygen_balance

    A molecule is said to have a positive oxygen balance if it contains more oxygen than is needed and a negative oxygen balance if it contains less oxygen than is needed. [2] An explosive with a negative oxygen balance will lead to incomplete combustion, which commonly produces carbon monoxide, which is a toxic gas. Explosives with negative or ...

  3. List of chemical process simulators - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_process...

    This is a list of software used to simulate the material and energy balances of chemical process plants. Applications for this include design studies, engineering studies, design audits, debottlenecking studies, control system check-out, process simulation, dynamic simulation, operator training simulators, pipeline management systems, production management systems, digital twins.

  4. Chemical graph generator - Wikipedia

    en.wikipedia.org/wiki/Chemical_graph_generator

    Graph representation of the serotonin molecule. (A) Molecular structure of serotonin. (B) Graph representation of the molecule. In a graph representing a chemical structure, the vertices and edges represent atoms and bonds, respectively. The bond order corresponds to the edge multiplicity, and as a result, chemical graphs are vertex and edge ...

  5. Chemical equation - Wikipedia

    en.wikipedia.org/wiki/Chemical_equation

    A chemical equation is the symbolic representation of a chemical reaction in the form of symbols and chemical formulas.The reactant entities are given on the left-hand side and the product entities are on the right-hand side with a plus sign between the entities in both the reactants and the products, and an arrow that points towards the products to show the direction of the reaction. [1]

  6. Stoichiometry - Wikipedia

    en.wikipedia.org/wiki/Stoichiometry

    This is illustrated in the image here, where the balanced equation is: CH 4 (g) + 2 O 2 (g) → CO 2 (g) + 2 H 2 O (l) Here, one molecule of methane reacts with two molecules of oxygen gas to yield one molecule of carbon dioxide and two molecules of liquid water. This particular chemical equation is an example of complete combustion.

  7. Standard enthalpy of formation - Wikipedia

    en.wikipedia.org/wiki/Standard_enthalpy_of_formation

    For many substances, the formation reaction may be considered as the sum of a number of simpler reactions, either real or fictitious. The enthalpy of reaction can then be analyzed by applying Hess' law, which states that the sum of the enthalpy changes for a number of individual reaction steps equals the enthalpy change of the overall reaction.

  8. Chemical graph theory - Wikipedia

    en.wikipedia.org/wiki/Chemical_graph_theory

    Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena. [1] The pioneers of chemical graph theory are Alexandru Balaban, Ante Graovac, Iván Gutman, Haruo Hosoya, Milan Randić and Nenad Trinajstić [2] (also Harry Wiener and others). In 1988, it was ...

  9. Pourbaix diagram - Wikipedia

    en.wikipedia.org/wiki/Pourbaix_diagram

    Pourbaix diagram of iron. [1] The Y axis corresponds to voltage potential. In electrochemistry, and more generally in solution chemistry, a Pourbaix diagram, also known as a potential/pH diagram, E H –pH diagram or a pE/pH diagram, is a plot of possible thermodynamically stable phases (i.e., at chemical equilibrium) of an aqueous electrochemical system.