VDI Verlag eLibrary

Model-Based Design of Pure and Multicomponent Cellulosic Biofuels for Advanced Engine Concepts

Manuel Dahmen

Series: Verfahrenstechnik

Volume 954 2017

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Targeted generation of candidate structures S. 40-49

„… 3 Targeted generation of candidate structures In earlier work on biofuel CAMD (Hechinger et al …” „… efficient generation of large numbers of molecular structures over many iterations by avoiding the …” „… , the CRPM approach has some similarities to the 43 3 Targeted generation of candidate structures …”

Introduction S. 1-9

„… targeted structure generation and computational property prediction are applied to systematically explore …” „… design), most parts of Chapter 3 (Targeted generation of candidate structures) and most parts of Chapter …” „… (Transformation rules for molecular structure generation) have already been published in slightly modified forms …”

Titelei/Inhaltsverzeichnis S. I-XVIII

„… Molecular Design – Targeted Molecular Structure Generation – QSPR Modeling – Group Contribution Modeling …” „… . . . . . . . . . . . . . . . . . . 34 2.4.2 Quantitative structure-property relationship (QSPR) modeling . . . 36 3 Targeted generation …” „… 175 Appendices 179 VI Contents A Transformation rules for molecular structure generation 180 B …”

Model-based identification of biofuel candidates S. 107-129

„… molecular structure generation used here, Hechinger (2014) had performed an exhaustive search for …” „… algorithm for targeted structure generation (cf. Chapter 3) has then been used to explore a spectrum of …” „… (Hechinger et al., 2012b; Dahmen et al., 2012; Hechinger, 2014), the targeted approach for structure …”

Conclusions and outlook S. 175-178

„… RWTH Aachen University since its initiation in 2007. Here, the fuel’s molecular structure (or its …” „… structure generation that resembles carbon- and energy-efficient chemo-catalytic refunctionalization of …” „… relationship between a fuel’s molecular structure and its auto-ignition propensity by means of a group …”

Bibliography S. 227-276

„… . (2003). Pitfalls in QSAR. Journal of Molecular Structure (Theochem), 622(1):39–51. Dabbagh, H., Ghobadi …” „… Wassermann, A. (2015). MOLGEN 5.0, A molecular structure generator. In Basak, S. C., Restrepo, G., and …” „… molecular structures on the exhaust gas emissions of compression ignition engines. Technical report. SAE …”

doi.org/10.51202/9783186954039

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Reaction Network Generation and Evaluation for the Design of Biofuel Value Chains

Juan José Wilhelm Victoria Villeda

Series: Verfahrenstechnik

Volume 950 2017

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Introduction S. 1-10

„… processes have in common that the molecular structure of the desired biofuel is predetermined. However, when …” „… considering the molecular structure as a degree of freedom, the tailoring of novel, defined fuel structures …” „… subsequent step, a molecular design problem is solved to determine suitable molecular structures exhibiting …”

Reaction network generation: Introduction to the basic algorithm S. 11-54

„… structure of all provided and generated molecules for systematic network generation, and (v) employment of a …” „… compiled into RDL sf Since TMFB is considering the fuel’s molecular structure as a degree of freedom …” „… network generation, the definition of the terms molecular ensemble (ME) and family of isomeric molecular …”

Case studies S. 95-127

„… the synthesis of 1-octanol (Julis and Leitner, 2012). The targeted substances, 2-butylfuran (2-BF) and …” „… Structure Tboil ρL ΔHcom Tmelt CN – – K kg/l MJ/kg K – O Prediction 373.1 0.87 -33.2 162.0 40 Constraint …” „… entity in this thesis. 6.3.2 Automated reaction network generation for 3-MTHF synthesis The computational …”

Appendices S. 132-169

„… to a substrate to form a molecular ensemble that undergoes reaction generation. The user can choose …” „… resulting patterns for determining non-selective reactions Table C.1 lists the molecular motifs that lead to …” „… ), tetrahydropyran (THP)). Table C.2 lists the molecular motifs that result from refunctionalizing the corresponding …”

doi.org/10.51202/9783186950031

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37. Internationales Wiener Motorensymposium 28. – 29. April 2016

Hans Peter Lenz (ed.)

Series: Verkehrstechnik/Fahrzeugtechnik

Volume 799 2016

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R. Schlögl Neue Kraftstoffe aus CO2/CO2 to Fuels – Chemical Perspectives S. II-253-II-264

„… possibly to hitherto unused and structurally pure molecular structures of designer …” „… consider an optimized molecular structure and a much larger homogeneity of molecular …” „… sets of catalytic technologies to convert CO2 into useful molecular structures …”

doi.org/10.51202/9783186799128

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OPE Journal

Browse Volumes: OPE Journal

OPE Volume 11 (2021) Issue 37 ISSN Online: 2366-8040

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“We don’t use temperature for drying, we dry with the high energy density of NIR radiation” S. 24-26

„… , curing and cross-linking. The printed structures must be completely closed to ensure electrical …” „… tenths of a second. The molecular activation vaporises the solvent or water. And because the radiation …” „… radiation can be dosed and applied in a very targeted manner, right to the point. OPE journal: And how …”

doi.org/10.51202/2366-8040-2021-37

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41. Internationales Wiener Motorensymposium 22.-24. April 2020

Bernhard Geringer (ed.), Hans-Peter Lenz (ed.)

Series: Verkehrstechnik/Fahrzeugtechnik

Volume 813 2020

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R. Schlögl Kohlenstoff als zukünftiger Energieträger/Carbon as a Future Energy Carrier S. II-90-II-113

„… the number of hydrogen atoms in its molecular structure. Its reduced storage capacity is conceptually …” „… strategies if the right molecular structures of syn fuels[15] are chosen. Albeit it is clear that the full …” „… bonds like the other two families but exhibits only isolated carbon atoms in their molecular structure …”

doi.org/10.51202/9783186813121

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PIAE Europe 2023

VDI Wissensforum GmbH (ed.)

Series: VDI-Berichte

Volume 2418 2023

doi.org/10.51202/9783181024188

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OPE Journal

Browse Volumes: OPE Journal

OPE Volume 13 (2023) Issue 43 ISSN Online: 2366-8040

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Wolfgang Mildner Printed electronics and smart packaging – not a success story, so far? S. 30-31

„… far?The realisation of intelligent packaging (or so-called smart packaging) has been one of the targeted …” „… . The printed part of the RFID does not refer to the logic, but to the antenna structures. The antennas …” „… awards were presented: » Best Business Case Olivier Van Coppenolle Molecular Plasma Group (Luxembourg …”

doi.org/10.51202/2366-8040-2023-43

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Near-net-shape fabrication of open-porous bone replacement materials of calcium phosphate and protein

Berit Müller

Series: Biotechnik/Medizintechnik

Volume 294 2017

doi.org/10.51202/9783186294173

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Scrubbing System Design for CO2 Capture in Coal-Fired Power Plants

Elizabeth Heischkamp

Series: Verfahrenstechnik

Volume 953 2017

doi.org/10.51202/9783186953032

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Model-based and Experimental Analysis of Transient Electrodialysis Processes

Matthias Johannink

Series: Verfahrenstechnik

Volume 949 2016

doi.org/10.51202/9783186949035

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LAND.TECHNIK AgEng 2019

VDI Wissensforum GmbH (ed.)

Series: VDI-Berichte

Volume 2361 2019

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A. Biswas, E. Eising SoilReader: A new in-situ multi-depth, multi-constituent, on-the-go precision soil analyzer S. 355-376

„… , filtering and buffering, supporting the civil structure, and preserving the cultural heritage [1]. The …” „… to provide for future generations [2]. Historical evidence of catastrophic civilization collapses …” „… scan or data collection [8]. The overtones and combinations of fundamental vibrations of molecular …”

doi.org/10.51202/9783181023617

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Autonomous Systems 2019: An Almanac

Herwig Unger (ed.)

Series: Informatik/ Kommunikation

Volume 864 2019

doi.org/10.51202/9783186864109

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PIAE EUROPE

VDI Wissensforum GmbH (ed.)

2020

doi.org/10.51202/9783181023693

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Commercial Vehicles 2019

VDI Wissensforum GmbH (ed.)

Series: VDI-Berichte

Volume 2350 2019

doi.org/10.51202/9783181023501

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Nutzfahrzeuge 2017 – Commercial Vehicles 2017

VDI Wissensforum GmbH (ed.)

Series: VDI-Berichte

Volume 2298 2017

doi.org/10.51202/9783181022986

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Results (32)

Model-Based Design of Pure and Multicomponent Cellulosic Biofuels for Advanced Engine Concepts

Reaction Network Generation and Evaluation for the Design of Biofuel Value Chains

37. Internationales Wiener Motorensymposium 28. – 29. April 2016

OPE Journal

41. Internationales Wiener Motorensymposium 22.-24. April 2020

PIAE Europe 2023

OPE Journal

Near-net-shape fabrication of open-porous bone replacement materials of calcium phosphate and protein

Scrubbing System Design for CO2 Capture in Coal-Fired Power Plants

Model-based and Experimental Analysis of Transient Electrodialysis Processes

LAND.TECHNIK AgEng 2019

Autonomous Systems 2019: An Almanac

PIAE EUROPE

Commercial Vehicles 2019

Nutzfahrzeuge 2017 – Commercial Vehicles 2017