Model and data to calculate effective energy density of hydrogen carriers as alternative fuels, underlying the publication: Comparative energy analysis of hydrogen carriers as energy source on ships

This repository contains a MATLAB/Simulink zero-dimensional (0D) system model used to evaluate the effective gravimetric energy density of hydrogen carriers when waste heat integration is included. The model compares multiple hydrogen carriers (NaBH4, KBH4, ammonia borane, dibenzyltoluene, and N-ethylcarbazole) in combination with different energy conversion technologies (ICE, PEMFC, SOFC, and gas turbine).The methodology combines physics-based process modeling in Simulink with iterative numerical convergence and post-processing in MATLAB. Reactor behavior, energy conversion, and multi-stage heat exchanger integration are simulated while enforcing mass and energy balances. Waste heat from coolant, spent fuel, and flue gas streams is recovered and reused for preheating and dehydrogenation, and pinch analysis is applied to assess thermal feasibility.Thermophysical properties, reaction parameters, and initial conditions are provided via Excel input files, ensuring transparency and reproducibility. All data originate from literature and engineering correlations.

本仓库包含一款基于MATLAB/Simulink搭建的零维（0D）系统模型，用于评估纳入废热集成方案时氢载体的有效重量能量密度。该模型对多种氢载体（硼氢化钠(NaBH4)、硼氢化钾(KBH4)、氨硼烷、二苄基甲苯、N-乙基咔唑）与不同能量转换技术（内燃机(ICE)、质子交换膜燃料电池(PEMFC)、固体氧化物燃料电池(SOFC)、燃气轮机）的组合方案进行了对比分析。本研究方法将Simulink中基于物理原理的过程建模，与MATLAB中的迭代数值收敛计算及后处理流程相结合。模型可模拟反应器特性、能量转换过程以及多级换热器集成场景，并严格遵循质量与能量平衡约束。可回收冷却剂、乏燃料及烟气流股中的废热，用于预热工序与脱氢反应，并通过夹点分析（pinch analysis）评估热可行性。热物理属性、反应参数及初始条件均通过Excel输入文件提供，以保障研究的透明度与可复现性。所有数据均源自公开文献与工程关联式。