Work

Evaluation of acute toxicity in liquid organic hydrogen carriers via experimental and computational approaches

Year: 2025

Type: article

Abstract: Liquid organic hydrogen carriers (LOHCs) are promising hydrogen storage materials, yet their toxicological properties remain insufficiently characterized. This study evaluated the acute toxicity of selected LOHCs following OECD Test Guideline 423 to determine lethal dose 50 % (LD50) values in rodents. The toxicological properties of various LOHC candidates, including dibenzyltoluene, N-ethylcarbazole, and hydrogenated pyridine-based compounds, were assessed through experimental and computational approaches. The results indicate that toxicity varies with hydrogenation state, with some fully hydrogenated forms exhibiting increased toxicity. Among the tested compounds, dibenzyltoluene exhibited the lowest toxicity, whereas some pyridine-based LOHCs induced neurological effects of varying severity. A moderate correlation was observed between the predicted and experimental toxicity values, suggesting that computational models provide useful insights but require careful interpretation. These findings contribute to the systematic assessment of LOHC toxicity and provide insights into their safety for industrial hydrogen storage applications.

Source: International Journal of Hydrogen Energy

DOI: 10.1016/j.ijhydene.2025.05.381

Authors: Seon Hwa Baek, Eun Jung Park, Jeong Won Kang

Institutions: Korea University, Kyung Hee University

Language: English

Topic: Hydrogen Storage and Materials

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: hybrid

Estimated APC paid: $3,730