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Equation 1 · Part 4 · Chemical Dynamics and Catalysis in Practice: An Advanced Technical Guide

Symbol K_i

XRC,i=(∂ln⁡r∂ln⁡ki)Ki,kj≠iX_{RC,i} = \left(\frac{\partial \ln r}{\partial \ln k_i}\right)_{K_i, k_{j \neq i}}
KiK_i

What this part means

KiK_i is an input to the expression that computes the quantity on the left.

Its job in the formula

KiK_i is an input to the expression that computes the quantity on the left.

The passage around this formula

…log of a single rate constant, evaluated at the reaction conditions of interest, and it can be computed from a microkinetic model built on density-functional or experimental barriers. Here r is the overall reaction rate, kik_i is the rate constant of step i , and the partial derivative is taken holding the equilibrium constant KiK_i of that step fixed (so that only kinetics, not thermodynamics, is perturbed) and all other rate constants constant. This equation matters because it is the formal object the rest of this…

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A subscript is a label attached below a symbol. It often selects a time step, component, category, or member of a sequence.

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