TY - JOUR
T1 - Chemical Equilibrium of the Synthesis of Poly(oxymethylene) Dimethyl Ethers from Formaldehyde and Methanol in Aqueous Solutions
AU - Schmitz, Niklas
AU - Homberg, Fabian
AU - Berje, Jürgen
AU - Burger, Jakob
AU - Hasse, Hans
N1 - Publisher Copyright:
© 2015 American Chemical Society.
PY - 2015/7/1
Y1 - 2015/7/1
N2 - Poly(oxymethylene) dimethyl ethers (OME) reduce soot formation during the combustion process when added to diesel fuels. OME are a gas-to-liquid option as they can be produced via methanol from natural gas or renewable feedstocks. This work deals with the synthesis of OME from the educts formaldehyde and methanol in aqueous solutions. The studied mixtures are complex reacting systems in which, poly(oxymethylene) glycols and poly(oxymethylene) hemiformals), in addition to OME are present. The chemical equilibrium of OME formation is studied in a stirred batch reactor in which the educts' overall ratio of formaldehyde to methanol, the amount of water, and the temperature (333.15 and 378.15 K) varies. A mole fraction-based and an activity-based model of the chemical equilibrium of the OME formation are developed, which explicitly account for the formation of poly(oxymethylene) glycols and poly(oxymethylene) hemiformals. Information on the latter reactions from the literature are confirmed by NMR experiments in the present work.
AB - Poly(oxymethylene) dimethyl ethers (OME) reduce soot formation during the combustion process when added to diesel fuels. OME are a gas-to-liquid option as they can be produced via methanol from natural gas or renewable feedstocks. This work deals with the synthesis of OME from the educts formaldehyde and methanol in aqueous solutions. The studied mixtures are complex reacting systems in which, poly(oxymethylene) glycols and poly(oxymethylene) hemiformals), in addition to OME are present. The chemical equilibrium of OME formation is studied in a stirred batch reactor in which the educts' overall ratio of formaldehyde to methanol, the amount of water, and the temperature (333.15 and 378.15 K) varies. A mole fraction-based and an activity-based model of the chemical equilibrium of the OME formation are developed, which explicitly account for the formation of poly(oxymethylene) glycols and poly(oxymethylene) hemiformals. Information on the latter reactions from the literature are confirmed by NMR experiments in the present work.
UR - http://www.scopus.com/inward/record.url?scp=84934784315&partnerID=8YFLogxK
U2 - 10.1021/acs.iecr.5b01148
DO - 10.1021/acs.iecr.5b01148
M3 - Article
AN - SCOPUS:84934784315
SN - 0888-5885
VL - 54
SP - 6409
EP - 6417
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
IS - 25
ER -