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

Energies, vol. 13, pp. 3401

Abstract

Polyoxymethylene dimethyl ethers (OMEn) are frequently discussed as alternative diesel fuels, with various synthesis routes considered. OME3–5 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 OME6-10 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.

Authors 6

1. Steffen Schemme

   Forschungszentrum Jülich

   Affiliation as printed

   Electrochemical Process Engineering (IEK-14), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

   Mitsubishi Hitachi Power Systems Europe GmbH, 47059 Duisburg, Germany

2. Sven Meschede

   Forschungszentrum Jülich

   Affiliation as printed

   Electrochemical Process Engineering (IEK-14), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

3. Maximilian Köller

   Forschungszentrum Jülich

   Affiliation as printed

   Electrochemical Process Engineering (IEK-14), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

4. Remzi Can Samsun

   Forschungszentrum Jülich

   Affiliation as printed

   Electrochemical Process Engineering (IEK-14), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

5. Ralf Peters corresponding

   Forschungszentrum Jülich

   Affiliation as printed

   Electrochemical Process Engineering (IEK-14), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

6. Detlef Stolten Aachen Chair for Fuel Cells Faculty of Mechanical Engineering

   RWTH Aachen University · Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Chair for Fuel Cells, Faculty of Mechanical Engineering, RWTH Aachen University, 52072 Aachen, Germany

   JARA-ENERGY, 52056 Aachen, Germany

   Techno-Economic Systems Analysis (IEK-3), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany