This repository provides the theoretical framework and computational verification for a non-thermal alternative to the Haber-Bosch process. By utilizing selective Resonant Vibrational Excitation, we demonstrate the deterministic dissociation of the
The Haber-Bosch process currently consumes 1% to 2% of global energy. Traditional catalysis relies on stochastic thermal collisions to populate high vibrational states. This project replaces bulk thermodynamics with a Molecular Force Controller (MFC) designed to snap the bond through precise, periodic nano-forces.
A primary challenge in bond dissociation is anharmonicity: as the bond stretches, its resonant frequency shifts, leading to a loss of phase-lock. This design utilizes a Chirped Pulse to maintain structural resonance through the entire dissociation coordinate.
- Fundamental Frequency: 70.7 THz
-
Linear Frequency Chirp:
$-4.73 \times 10^{24} , \text{Hz/s}$ -
Applied Force (
$F_0$ ): 23 nN -
Dissociation Threshold:
$3 \times r_e$
The core of this project is Dinitrogen_Resonant_Dissociation_Model.py, a high-fidelity physical model that serves as the definitive verification for the resonant dissociation theory. It utilizes a Velocity Verlet Integration Scheme with a 10 as (attosecond) timestep to ensure symplectic integrity and energy conservation. Unlike standard approximations, this model accounts for the real-world anharmonicity of the Nitrogen bond via a Morse Potential.
| Metric | Value |
|---|---|
| Dissociation Time | 1768.94 fs |
| Net Work Absorbed | 946.48 kJ/mol |
| Theoretical Bond Energy | 945.45 kJ/mol |
| Precision Accuracy | Within 0.11% |
Beyond Haber-Bosch - Resonant Vibrational Dissociation of Dinitrogen via Periodic Nano-Force Fields_.pdf: The full theoretical manuscript including the conceptual implementation blueprint for vacuum-based THz arrays.Dinitrogen_Resonant_Dissociation_Model.py: The definitive computational model and simulation of resonant bond-snapping.dissociation_analysis.png: Visualization of the bond-snapping event, capturing the transition from stable oscillation to Morse Potential failure.Resonant_Pulse_Controller.sv: Parameterized SystemVerilog hardware logic (MFC) for deterministic, phase-aligned bond dissociation.Resonant_Pulse_Controller_Testbench.sv: Verification suite achieving a direct numerical match of the 1768.94 fs target.
The source code and resonant parameters are licensed under CC BY-NC 4.0.
For commerical licensing inquiries please contact:
Licensing Agent - J.E. Randolph 📧 700josh.r@gmail.com
*Copyright © 2026 Jonathan Alan Reed.
