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  2. Energy profile (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Energy_profile_(chemistry)

    The height of energy barrier is always measured relative to the energy of the reactant or starting material. Different possibilities have been shown in figure 6. Figure 6:Reaction Coordinate Diagrams showing reactions with 0, 1 and 2 intermediates: The double-headed arrow shows the first, second and third step in each reaction coordinate diagram.

  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. Mass balance - Wikipedia

    en.wikipedia.org/wiki/Mass_balance

    In physics, a mass balance, also called a material balance, is an application of conservation of mass [1] to the analysis of physical systems. By accounting for material entering and leaving a system, mass flows can be identified which might have been unknown, or difficult to measure without this technique.

  5. More O'Ferrall–Jencks plot - Wikipedia

    en.wikipedia.org/wiki/More_O'Ferrall–Jencks_plot

    These plots were first introduced in a 1970 paper by R. A. More O’Ferrall to discuss mechanisms of β-eliminations [2] and later adopted by W. P. Jencks in an attempt to clarify the finer details involved in the general acid-base catalysis of reversible addition reactions to carbon electrophiles such as the hydration of carbonyls.

  6. Thermochemical equation - Wikipedia

    en.wikipedia.org/wiki/Thermochemical_equation

    In thermochemistry, a thermochemical equation is a balanced chemical equation that represents the energy changes from a system to its surroundings.One such equation involves the enthalpy change, which is denoted with In variable form, a thermochemical equation would appear similar to the following:

  7. Ellingham diagram - Wikipedia

    en.wikipedia.org/wiki/Ellingham_diagram

    The Ellingham diagram plots the Gibbs free energy change (ΔG) for each oxidation reaction as a function of temperature. For comparison of different reactions, all values of ΔG refer to the reaction of the same quantity of oxygen, chosen as one mole O (1 ⁄ 2 mol O 2) by some authors [2] and one mole O 2 by others. [3] The diagram shown ...

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  9. CALPHAD - Wikipedia

    en.wikipedia.org/wiki/CALPHAD

    CALPHAD stands for Computer Coupling of Phase Diagrams and Thermochemistry, a methodology introduced in 1970 by Larry Kaufman, originally known as CALculation of PHAse Diagrams. [1] [2] [3] An equilibrium phase diagram is usually a diagram with axes for temperature and composition of a chemical system. It shows the regions where substances or ...

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