Computer-aided simulation and exergy analysis of TiO₂ nanoparticles production via green chemistry

Abstract

BackgroundThe production of photocatalytic nanoparticles such as TiO2 has received increasing interest for biomedical and wastewater treatment applications. However, the conventional synthesis of such materials faces several environmental concerns.MethodsIn this work, green synthesis is addressed to prepare TiO2 nanoparticles at large scale using Lemongrass (Cymbopogon citratus) and titanium isopropoxide (TTIP). This process was designed and modeled using computer-aided process engineering (CAPE) in order to obtain the extended mass/energy balances, as well as operating parameters. Process simulation was carried out using the commercial software Aspen Plus®. In addition, energy performance of large-scale nanoparticle production was analyzed to identify alternatives for process improvement from an exergetic point of view.ResultsThe production capacity of the plant was estimated as 1,496 t/y of TiO2 nanoparticles by the conversion of 32,675 t/y lemongrass and 5,724 t/y TTIP. Hence, the overall production yield is 0.26 kg TiO2/kg TTIP. Exergy analysis reported an overall exergy efficiency of 0.27% and an exergy loss of 159,824.80 MJ/h. These results suggest that such a process requires the implementation of process improvement strategies to reach a more sustainable design from energy and thermodynamic viewpoints.

Evaluación de la producción de aceite crudo de palma y palmiste en el norte de Colombia mediante el análisis de exergía asistido por computador

“…From the diagnosis thrown by the exergy analysis, it is possible to have the information that shows if there is a necessity to implement strategies of improvement as the integration of process or the intensification of the same ones [5]. Also, exergy analysis is considered by the authors as a selected criterion for novel/ emerging processing routes under sustainability targets [6]. Crude palm oil production has been evaluated via exergy analysis by authors such as Jaimes et al [7] and Martinez et al [8].…”

Inherent Safety Assessment of Industrial-Scale Production of Chitosan Microbeads Modified with TiO2 Nanoparticles

“…The herb oil is mainly composed of myrcene, neral, geranial, citral, and nerol, among other phytochemicals, with a total composition of 1.10% wt. [ 22 ]. Finally, the mainstream with diluted oil is sent to an evaporation stage to reduce the water content.…”

Process Analysis of Hydrogen Production via Biomass Gasification under Computer-Aided Safety and Environmental Assessments

“… 78 Once the topology is already synthesized, the method continues to set the involved chemical substances/components, determination of an accurate thermodynamic model and equation(s) of state, setting processing capacity counting raw material market price and availability and considering demanded or needed input conditions about material balances, energy generation/consumption, operating settings (temperature or/and pressure), engineering kinetics, reaction yields, and stoichiometry, among others. 79 …”