Comprehensive development, uncertainty and sensitivity analysis of a model for the hydrolysis of rapeseed oil

Forero-Hernandez, Hector; Jones, Mark Nicholas; Sarup, Bent; Jensen, Anker Degn; Abildskov, Jens; Sin, Gürkan

doi:10.1016/j.compchemeng.2019.106631

Cited by 6 publications

(5 citation statements)

References 48 publications

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“…The performed sMVA strategy can be an important basis to steer further research and modeling efforts for the optimization, monitoring, and control of oleochemical processes. Existing mechanistic models for fat/oil hydrolysis typically do not include side reactions such as the breakdown of C18:3 and make use of simplified compositions, such as one fatty acid and glyceride component. , Our present work has shown the importance of differentiating between feedstock types, which underlines the importance of using a more specific composition if modeling is used to optimize process parameters. Existing models of fatty acid distillation focus on the vapor–liquid equilibrium (VLE) of fatty acids and do not include quality parameters such as color .…”

Section: Discussionmentioning

confidence: 82%

Multivariate Analysis of Industrial Biorefinery Processes: Strategy for Improved Process Understanding with Case Studies in Fatty Acid Production

Nachtergaele

Thybaut

Meester

et al. 2020

Ind. Eng. Chem. Res.

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Section: Discussionmentioning

confidence: 82%

Multivariate Analysis of Industrial Biorefinery Processes: Strategy for Improved Process Understanding with Case Studies in Fatty Acid Production

Nachtergaele

Thybaut

Meester

et al. 2020

Ind. Eng. Chem. Res.

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“…The experimental setup of a counter-current spray column presented by Cadavid et al [38] can be established to obtain the necessary data. Combined with the work by Forero-Hernandez et al [39] to perform rigorous kinetic data analysis and the model presented here, important information about the hydrolysis of vegetable oils in spray columns can be obtained. Future research should be made regarding computational fluid dynamics (CFD) to describe the hydrodynamics in the spray column.…”

Section: Discussionmentioning

confidence: 96%

Splitting Triglycerides with a Counter-Current Liquid–Liquid Spray Column: Modeling, Global Sensitivity Analysis, Parameter Estimation and Optimization

et al. 2019

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In this work we present the model of a counter-current spray column in which a triglyceride (tripalmitic triglyceride) is hydrolyzed by water and leads to fatty acid (palmitic acid) and glycerol. A finite volume model (FVM) of the column was developed to describe the reactive extraction process with a two-phase system and validated with an analytical model from the literature with the given data set encompassing six experimental runs. Global, variance-based (Sobol) sensitivity analysis allowed assessment of the sensitivity of the sweet water glycerol content in respect to liquid density, overall mass-transfer coefficient, reaction rate coefficient and the equilibrium ratio to rank them accordingly. Furthermore, parameter estimation with a differential evolution (DE) algorithm was performed to obtain among others the mass transfer, backmixing and reaction rate coefficients. The model was used to formulate and solve a process design problem regarding economic and sustainable performance. Multi-criteria optimization was applied via DE to minimize total annual cost (TAC) and the Eco99 indicator by varying the steam inlet flow rate and distribution over the two steam inlets as the independent variables. The model and analysis was implemented in Fortran and Python where the Fortran model can also be embedded in a process simulator such as PRO/II or Aspen.

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“…We refer to Gross and Sadowski for a summary of the equations for calculating ϕ using the PC-SAFT model . The LLE estimated by PPC-SAFT is compared to more traditional property methods: UNIFAC_DMD, UNIQUAC, and SRK, which are frequently used for such systems in the literature. − Furthermore, the estimated glycerol distribution coefficient and weight percent water in the organic phase are compared to the values fitted by Patil et al for their splitting tower model …”

Section: Methodsmentioning

confidence: 99%

Simulation of an Industrial-Scale Reactive Liquid–Liquid Extraction Tower Using Polar PC-SAFT Toward Understanding and Improving the Hydrolysis of Triglycerides

Nachtergaele

Sin

Meester

et al. 2021

ACS Sustainable Chem. Eng.

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A comprehensive model for simulation and optimization of industrial-scale splitting towers that is able to predict the yield for the hydrolysis of bio-based triglyceride feedstocks is presented in this work. This model includes a variable glycerol equilibrium ratio, which is a function of the composition and temperature and is calculated using the polar version of the perturbed chain statistical association fluid theory (PC-SAFT), the autocatalytic effect of fatty acids in hydrolysis, and isomerization of poly-unsaturated fatty acids. Model validation is performed using process data from three real-life splitting towers covering four feedstock types, i.e., tallow, rapeseed oil, palm oil, and palm fatty acid distillate. Due to the composition gradients of the organic phase throughout the tower, it is crucial to properly account for the changes in the glycerol equilibrium ratio. The importance of feedstock flow rate, water/oil ratio, and temperature profile throughout the tower is analyzed and confirmed by sensitivity analysis. Our results show that modifying the temperature profile may shift the reaction equilibrium toward the fatty acid product. This knowledge is crucial for improving the energy and resource efficiency of fatty acid production, thereby improving its economic and environmental sustainability.

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Comprehensive development, uncertainty and sensitivity analysis of a model for the hydrolysis of rapeseed oil

Cited by 6 publications

References 48 publications

Multivariate Analysis of Industrial Biorefinery Processes: Strategy for Improved Process Understanding with Case Studies in Fatty Acid Production

Multivariate Analysis of Industrial Biorefinery Processes: Strategy for Improved Process Understanding with Case Studies in Fatty Acid Production

Splitting Triglycerides with a Counter-Current Liquid–Liquid Spray Column: Modeling, Global Sensitivity Analysis, Parameter Estimation and Optimization

Simulation of an Industrial-Scale Reactive Liquid–Liquid Extraction Tower Using Polar PC-SAFT Toward Understanding and Improving the Hydrolysis of Triglycerides

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