Property Data Estimation for Hemiformals, Methylene Glycols and Polyoxymethylene Dimethyl Ethers and Process Optimization in Formaldehyde Synthesis

Steffen Schemme, Sven Meschede, Maximilian Köller, Remzi Can Samsun, Ralf Peters and Detlef Stolten
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Steffen Schemme: Mitsubishi Hitachi Power Systems Europe GmbH, 47059 Duisburg, Germany
Sven Meschede: Electrochemical Process Engineering (IEK-14), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
Maximilian Köller: Electrochemical Process Engineering (IEK-14), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
Remzi Can Samsun: Electrochemical Process Engineering (IEK-14), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
Ralf Peters: Electrochemical Process Engineering (IEK-14), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
Detlef Stolten: Techno-Economic Systems Analysis (IEK-3), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

Energies, 2020, vol. 13, issue 13, 1-29

Abstract: Polyoxymethylene dimethyl ethers (OME n ) are frequently discussed as alternative diesel fuels, with various synthesis routes considered. OME 3–5 syntheses demand significant amounts of thermal energy due to the complex separation processes that they entail. Therefore, innovative process designs are needed. An important tool for the development of new processes is process simulation software. To ensure sound process simulations, reliable physico-chemical models and component property data are necessary. Herein we present the implementation of a state-of-the-art thermodynamic model to describe the component systems of formaldehyde-water and formaldehyde-methanol using Microsoft ® Excel (2010, Microsoft Corp, Redmond, WA, USA) and Aspen Plus ® , (V8.8, Aspen Tech, Bedford, MA, USA) determine the deviation between the calculated results and experimental literature data, and minimize the deviation by means of parameter fitting. To improve the accuracy of the estimation of the missing property data of hemiformals and methylene glycols formed from formaldehyde using group contribution methods, the normal boiling points were estimated based on molecular analogies. The boiling points of OME 6-10 are determined through parameter regression in accordance with the vapor pressure equation. As an application example, an optimization of the product separation of the state-of-the-art formaldehyde synthesis is presented that helps decrease the losses of methanol and formaldehyde in flue gas and wastewater.

Keywords: thermodynamic modeling; process design; Aspen Plus; power-to-fuel; synthetic fuels; formalin (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2020
References: View references in EconPapers View complete reference list from CitEc
Citations: View citations in EconPapers (1)

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