@article{paperid:1106742, author = {Soheili, Saeedeh and Nakhaei Pour, Ali}, title = {Toward rational design of zeolite-based adsorbents: theoretical and experimental insights into chemisorption mechanisms of sulfur-containing molecules}, journal = {Separation and Purification Technology}, year = {2026}, volume = {393}, month = {June}, issn = {1383-5866}, pages = {137152--137165}, numpages = {13}, keywords = {Adsorption desulfurization Chemisorption mechanisms Metal-exchanged Y zeolites Density functional theory Solvent effect}, }