Dead biomass of yeast Trichosporon sp. VITLN01 pretreated with Tween 80, sodium dodecylsulfate (SDS) and NaOH were used as adsorbents for caffeine removal from aqueous solution. In batch system, maximum caffeine uptake was noted using Tween 80 treated adsorbent at pH 7.5 and adsorption equilibrium time was 3 h. The Langmuir, Freundlich and Temkin adsorption models were applied for mathematical description of adsorption equilibrium. Langmuir model was able to describe the adsorption equilibrium of caffeine on native and pretreated adsorbents. Thermodynamics studies indicated that caffeine adsorption process was spontaneous and exothermic in nature. SEM analysis revealed interesting changes in the surface texture of pretreated adsorbents before and after caffeine adsorption.Pretreated adsorbents immobilized in PVA-alginate matrix was used to remove caffeine from coffee processing industrial wastewater. The present study confirmed that immobilized Tween 80 treated dead biomass of yeast Trichosporon sp. VITLN01 may serve as efficient adsorbent for removal of caffeine from industrial wastewater.