Catalytic Decomposition of H2S for H2 Generation


HYDRA-S (HYdrogen from the Decomposition and Reforming of Acidic Hydrogen Sulfide) splits H₂S into hydrogen and elemental sulfur. Today, the hydrogen in H₂S is lost as water in the Claus process. The program combines catalyst design, microkinetics, and reactor engineering [180, 168] [patent 15].

  • Sulfide catalysts selected by reaction descriptors [180] [patent 07, 10]
  • Deactivation and sulfur handling
  • Scale-up rules for sour streams

Related People

Abdulrahman H. Asiri
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