Rethinking the design of a 2-methoxy-2-methyl-heptane process by unraveling the true thermodynamics and kinetics

Iulian Patraşcu; Costin Sorin Bîldea; Anton A. Kiss

doi:10.1016/j.cherd.2021.12.002

Rethinking the design of a 2-methoxy-2-methyl-heptane process by unraveling the true thermodynamics and kinetics

Iulian Patraşcu^*, Costin Sorin Bîldea, Anton A. Kiss

^*Corresponding author for this work

ChemE/Product and Process Engineering

Research output: Contribution to journal › Article › Scientific › peer-review

1 Citation (Scopus)

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Abstract

Among other fuel additives — such as MTBE, ETBE, or TAME — 2-methoxy-2-methyl heptane (MMH) can increase the fuel octane number and reduce the CO emission. MMH can be obtained through the exothermal etherification of 2-methyl-1-heptene and methanol. Lately, many researchers have developed more and more efficient processes considering the kinetics corresponding to an endothermal reaction. However, in this work we demonstrate that the reaction is actually quite exothermal, and this has strong impact on the designed process. Also, the vapor–liquid equilibrium data predicted by UNIQUAC model for 2-methoxy-2-methyl heptane and 2-methyl-2-heptanol mixture reveals that product purification is more difficult, and it requires more energy to recover and obtain MMH with high purity. Considering these aspects, the 54.87 ktpy process developed in this paper is more realistic and energy intensive (1.82 kW h/kg MMH), with a TAC of 5.3 M$/year. The controllability of the process is proven for ±20% changes of 2-methoxy-2-methyl-heptane production rate.

Original language	English
Pages (from-to)	789-800
Journal	Chemical Engineering Research and Design
Volume	177
DOIs	https://doi.org/10.1016/j.cherd.2021.12.002
Publication status	Published - 2022

Bibliographical note

Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care
Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.

Keywords

2-Methoxy-2-methyl-heptane
Plantwide control
Process design
Process simulation

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title = "Rethinking the design of a 2-methoxy-2-methyl-heptane process by unraveling the true thermodynamics and kinetics",

abstract = "Among other fuel additives — such as MTBE, ETBE, or TAME — 2-methoxy-2-methyl heptane (MMH) can increase the fuel octane number and reduce the CO emission. MMH can be obtained through the exothermal etherification of 2-methyl-1-heptene and methanol. Lately, many researchers have developed more and more efficient processes considering the kinetics corresponding to an endothermal reaction. However, in this work we demonstrate that the reaction is actually quite exothermal, and this has strong impact on the designed process. Also, the vapor–liquid equilibrium data predicted by UNIQUAC model for 2-methoxy-2-methyl heptane and 2-methyl-2-heptanol mixture reveals that product purification is more difficult, and it requires more energy to recover and obtain MMH with high purity. Considering these aspects, the 54.87 ktpy process developed in this paper is more realistic and energy intensive (1.82 kW h/kg MMH), with a TAC of 5.3 M$/year. The controllability of the process is proven for ±20% changes of 2-methoxy-2-methyl-heptane production rate.",

keywords = "2-Methoxy-2-methyl-heptane, Plantwide control, Process design, Process simulation",

author = "Iulian Patra{\c s}cu and B{\^i}ldea, {Costin Sorin} and Kiss, {Anton A.}",

note = "Green Open Access added to TU Delft Institutional Repository {\textquoteleft}You share, we take care!{\textquoteright} – Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public. ",

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doi = "10.1016/j.cherd.2021.12.002",

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AU - Patraşcu, Iulian

AU - Bîldea, Costin Sorin

AU - Kiss, Anton A.

N1 - Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.

PY - 2022

Y1 - 2022

N2 - Among other fuel additives — such as MTBE, ETBE, or TAME — 2-methoxy-2-methyl heptane (MMH) can increase the fuel octane number and reduce the CO emission. MMH can be obtained through the exothermal etherification of 2-methyl-1-heptene and methanol. Lately, many researchers have developed more and more efficient processes considering the kinetics corresponding to an endothermal reaction. However, in this work we demonstrate that the reaction is actually quite exothermal, and this has strong impact on the designed process. Also, the vapor–liquid equilibrium data predicted by UNIQUAC model for 2-methoxy-2-methyl heptane and 2-methyl-2-heptanol mixture reveals that product purification is more difficult, and it requires more energy to recover and obtain MMH with high purity. Considering these aspects, the 54.87 ktpy process developed in this paper is more realistic and energy intensive (1.82 kW h/kg MMH), with a TAC of 5.3 M$/year. The controllability of the process is proven for ±20% changes of 2-methoxy-2-methyl-heptane production rate.

AB - Among other fuel additives — such as MTBE, ETBE, or TAME — 2-methoxy-2-methyl heptane (MMH) can increase the fuel octane number and reduce the CO emission. MMH can be obtained through the exothermal etherification of 2-methyl-1-heptene and methanol. Lately, many researchers have developed more and more efficient processes considering the kinetics corresponding to an endothermal reaction. However, in this work we demonstrate that the reaction is actually quite exothermal, and this has strong impact on the designed process. Also, the vapor–liquid equilibrium data predicted by UNIQUAC model for 2-methoxy-2-methyl heptane and 2-methyl-2-heptanol mixture reveals that product purification is more difficult, and it requires more energy to recover and obtain MMH with high purity. Considering these aspects, the 54.87 ktpy process developed in this paper is more realistic and energy intensive (1.82 kW h/kg MMH), with a TAC of 5.3 M$/year. The controllability of the process is proven for ±20% changes of 2-methoxy-2-methyl-heptane production rate.

KW - 2-Methoxy-2-methyl-heptane

KW - Plantwide control

KW - Process design

KW - Process simulation

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JF - Chemical Engineering Research and Design

ER -

Rethinking the design of a 2-methoxy-2-methyl-heptane process by unraveling the true thermodynamics and kinetics

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Keywords

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