Battery - theoretical specific energy

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SUMMARY

The discussion focuses on calculating the maximum theoretical specific energy of battery combinations, specifically using single metals and oxidants such as Sodium-Sulfur and Lithium-Fluorine. The theoretical specific energy is expressed in watt hours per kilogram and is derived from the chemical potential energy of pure elements, excluding real-world factors like electrolytes and electrodes. The user attempted calculations using molar enthalpy of formation but faced challenges with non-1:1 molar ratios, particularly in the Lithium-Oxygen example. The conversion process from kilojoules to watt hours was also addressed, emphasizing the importance of using Gibbs energy for accurate results.

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  • Understanding of theoretical specific energy in batteries
  • Knowledge of molar enthalpy of formation
  • Familiarity with unit conversions between kilojoules and watt hours
  • Basic chemistry concepts related to molar mass and chemical reactions
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  • Research "Gibbs energy vs. enthalpy in battery calculations"
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Researchers, chemists, and engineers involved in battery technology, specifically those interested in theoretical energy calculations and battery performance optimization.

Solitron
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TL;DR
How to calculate theoretical specific energy
I want to learn how to calculate maximum theoretical specific energy of various battery combinations consisting of a single metal and single oxidant, like for example Sodium - Sulfur, Potassium - Sulfur or even crazy stuff like Rubiddium - Iodine.

I asked this question on stackexchange but I had bad luck as the people there didnt understand what theoretical specific energy is. Its impossible to obtain in real world value based solely on the chemical potential energy between two pure elements, it ignores weight of everything else like electrolyte, separator, electrodes or copper or the metal oxide/carbon where the ions are absorbed inside in real world batteries.

The theoretical specific energy uses watt hour - kilogram units. If you never seen this I highly suggest looking at "metal air battery" Wiki page, there you can see the values for various metal - air ( oxygen ) combinations.

So far I tried calculating it by using molar entalphy of formation energy but I don't know how to do it exactly, especially for combinations that don't have 1 to 1 molar ratio, like for example lithium oxygen where you need twice as many moles of lithium as oxygen.

Here is how I tried doing Lithium - Fluorine, do you see any error?
Lithium molar mass = 6.941g
Fluorine molar mass = 18.99g
Lithium Fluoride molar mass = 25.939g
Lithium Fluoride entalphy of formation = -598.65KJ per mol

1000g : 25.939g = 38.55 LiF moles in 1kg
38.55mol × 598.65KJ/mol = 23077KJ/kg = 6410 Watt hour/kg
 
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Strictly, you should use Gibbs energy rather than enthalpy.
 
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