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Catalytic decomposition of H2S for H2 generation

Problem statement

Hydrogen sulfide (H2S) is a toxic and corrosive substance that is either naturally in aqueous or gas form or can be generated by industrial processes (e.g., in the petroleum industry). Globally, H2S production (from both petroleum and natural sources) has reached 10 million tons annually, which will increase further. Using H2S sources as feedstock for H2 generation is a promising approach for eliminating H2S and producing clean energy. The thermal decomposition of H2S could be attractive from an economic standpoint. However, this process has several challenges, including thermodynamic limitations (high operating temperature, equilibrium limitation, and low conversion rate). Catalytic decomposition of H2S for H2 generation has drawn significant attention as an alternative process for H2 generation at lower operated temperatures.

We aim to develop, synthesize, characterize, and test innovative catalysts with promoted lifetime, activity, and selectivity for H2 generation via the thermo-catalytic decomposition of hydrogen sulfide (H2S).

Goals

  • Develop novel catalysts with high catalytic performance with long-term stability
  • Introduce simple, easy, and cost-effective techniques for enhancing catalyst properties
  • Explore metal alloy catalysts for the process
  • Analyze different process conditions to optimize hydrogen production
  • Develop advanced structure-function-deactivation relationships of the suitable catalysts

Related People

Hend Omar Mohamed
Vijay V. Kumar

Related Publications

Designing sulfide catalysts for H2S dissociation to H2 based on reaction descriptors and microkinetics

by Almofleh, Alaithan, Velisoju, Mukhambetov, Lezcano, Aljama, Mohamed, Castaño
Appl. Catal. B: Environ. Year: 2025 DOI: https://doi.org/10.1016/j.apcatb.2024.124605

Abstract

Molybdenum disulfide (MoS2) is a promising catalyst for the challenging transformation of hydrogen sulfide (H2S) into sulfur and hydrogen (H2). However, a detailed understanding of its structure-function correlation still needs to be provided. We used density functional theory calculations to extract relevant reaction indexes (binding energies and free energy barriers) over different MoS2surfaces. We used these indexes as inspiration in developing new catalysts and a microkinetic model to compare the results, extracting insights into the reaction mechanisms and surface coverages. The turnover frequencies obtained experimentally and through microkinetic modeling are analogous, validating our approach. The findings pave the way for developing more efficient H2S decomposition catalysts and establish a descriptor-based design for other metal sulfide catalysts.

Keywords

S2H MKM CRE