Journal: Industrial & Engineering Chemistry Research

Abbreviation

Ind. Eng. Chem. Res.

Publisher

American Chemical Society

Journal Volumes

ISSN

1520-5045
0888-5885

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Publications1 - 10 of 242
  • A Selective Dissolution Process Featuring a Classification Device for the Removal of Fines in Crystallization
    Item type: Journal Article
    Binel, Pietro; Mazzotti, Marco (2021)
    Industrial & Engineering Chemistry Research
    The presence of fine crystals is a common condition that may hinder the downstream processing of a powder obtained through a crystallization process. This study investigates through simulations a process featuring a hydrocyclone for their removal. Hydrocyclones, solid–liquid separation devices widely applied in several fields of chemical engineering, enable the classification of suspended solids based on their size. The classification step allows for a selective dissolution of the fine crystals, thus leading to a more efficient process when compared to a simpler temperature cycle, where partial dissolution of larger crystals is deliberately though reluctantly accepted. A pathway for the selection of a suitable hydrocyclone design is outlined, and a novel graphical tool useful to describe the performance of the device for the fines separation task is presented. The selection of the operating variables and their operating window is discussed, and their effect on the overall process is elucidated. The design space and the performance of the selective fines removal process is investigated by coupling for the first time the detailed modeling of fines dissolution by heating and crystallization by cooling, both based on population balance equations, and the hydrocyclone behavior, for which an established model due to Braun is used. Simulation runs are presented for different scenarios and allow assessing the process performance in terms of reductions of fines, processing time, and energy demand, thus providing a valuable insight into its applicability.
  • Design of Laminar Flow Condensers for Production of Monodisperse Aerosols
    Item type: Journal Article
    Pratsinis, Sotiris E.; Kodas, Tovio T.; Sood, Ajay (1988)
    Industrial & Engineering Chemistry Research
  • Sustainability evaluation of alternative routes for fine chemicals production in an early stage of process design adopting process simulation along with data envelopment analysis
    Item type: Journal Article
    Mio, Andrea; Limleamthong, Phantisa; Guillén Gosálbez, Gonzalo; et al. (2018)
    Industrial & Engineering Chemistry Research
    We propose a framework for the preliminary screening of chemical process designs according to sustainability criteria. Through the implementation of each flowsheet in a process simulator, several indicators based on sustainability pillars, i.e. economy, society, and environment, are calculated and then analyzed employing data envelopment analysis (DEA) in order to select the most efficient designs considering multiple criteria simultaneously. Suboptimal alternatives are further investigated by adopting a retrofit analysis, aiming to identify the parameters that most contribute to the final indicators scores, and therefore highlighting the major sources of deviation from optimal conditions. We applied this framework on a case study based on various patents regarding the production of pioglitazone hydrochloride in order to validate the capabilities of our methodology. Our approach, which embeds process simulation, sustainability indicators, and DEA within the same procedure, will support practitioners during the sustainability assessment of promising process designs, removing the inefficient ones.
  • Design of Simulated Moving Bed Separations
    Item type: Journal Article
    Mazzotti, Marco (2006)
    Industrial & Engineering Chemistry Research
  • Predictive Darken Equation for Maxwell-Stefan Diffusivities in Multicomponent Mixtures
    Item type: Journal Article
    Liu, Xin; Vlugt, Thijs J.H.; Bardow, André (2011)
    Industrial & Engineering Chemistry Research
    This Article presents the derivation and validation of a rigorous model for the prediction of multicomponent Maxwell-Stefan (MS) diffusion coefficients. The MS theory provides a sound framework for modeling mass transport in gases and liquids. Unfortunately, MS diffusivities are concentration dependent, and this needs to be taken into account in practical applications. There is therefore a considerable interest in models describing the concentration dependence of MS diffusivities. While current practice employs empirical models for this purpose, recent work on molecular simulations favor the physically based Darken equation. The Darken equation, however, is limited to binary mixtures and is not predictive. In this study, a multicomponent Darken model for MS diffusivities is derived from linear response theory and the Onsager relations. In addition, a predictive model for the required self-diffusivities in the mixture is proposed, leading to the predictive Darken-LBV model. We compare our novel model to the existing generalized Vignes equation and the generalized Darken equation using molecular dynamics (MD) simulation. Two systems are considered: (1) ternary and quaternary systems in which particles are interacting using the Weeks-Chandler-Andersen (WCA) potential; (2) the ternary system n-hexane-cyclohexane-toluene. Our results show that, in all studied systems, the novel predictive Darken-LBV equation describes the concentration dependence better than the existing models. The physically based Darken-LBV model provides a sound and robust framework for prediction of MS diffusion coefficients in multicomponent mixtures.
  • Synthesis and Characterization of Phosphine-Functionalized Metal–Organic Frameworks Based on MOF-5 and MIL-101 Topologies
    Item type: Journal Article
    Morel, Flavien L.; Ranocchiari, Marco; van Bokhoven, Jeroen A. (2014)
    Industrial & Engineering Chemistry Research
  • CaO-Based CO2 Sorbents with a Hierarchical Porous Structure Made via Microfluidic Droplet Templating
    Item type: Journal Article
    Kurlov, Alexey; Armutlulu, Andac; Donat, Felix; et al. (2020)
    Industrial & Engineering Chemistry Research
  • Temperature Swing Adsorption for the Recovery of the Heavy Component: An Equilibrium-Based Shortcut Model
    Item type: Journal Article
    Joss, Lisa; Gazzani, Matteo; Hefti, Max; et al. (2015)
    Industrial & Engineering Chemistry Research
  • Precursor Aggregate Distributions for Particulate Gels
    Item type: Journal Article
    Bonanomi, Eleonora; Sandkühler, Peter; Sefcik, Jan; et al. (2004)
    Industrial & Engineering Chemistry Research
  • Theoretical Evaluation of Two-Phase Flow in a Chromatographic Reactor
    Item type: Journal Article
    Ortner, Franziska; Mazzotti, Marco (2018)
    Industrial & Engineering Chemistry Research
Publications1 - 10 of 242