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

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Manuel Dahmen

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

Series: Verfahrenstechnik

Volume 954 2017

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Titelei/Inhaltsverzeichnis

„… Molecular Design – Targeted Molecular Structure Generation – QSPR Modeling – Group Contribution Modeling …” „… structure-property relationship (QSPR) and group contribution modeling of key physicochemical fuel properties …” „… fuels . . . . . . . . . . . . 33 2.4.1 Group contribution (GC) modeling …”

Introduction S. 1-9

„… contribution (GC) modeling. property prediction task in the context of model-based fuel design (Hechinger et al …” „… subsequently used in Chapter 4 to derive a simple, yet predictive group contribution model for the so-called …” „… group contribution model mixture property models linear/nonlinear mixing rules UNIFAC group contribution …”

GC-based prediction of fuel auto-ignition quality S. 50-82

„… general model structure group contribution modeling, residual analysis 2 generate ideas on how to reduce …” „… group contribution modeling just recently (Hukkerikar et al., 2012). While qi (ui) describes the ”true …” „… contribution modeling. Since parameter estimates of the initial model suffer from high uncertainty and …”

Basic concepts of fuel design S. 10-39

„… thesis are based on GCM and QSPR. 2.4.1 Group contribution (GC) modeling Group contribution methods (GCMs …” „… +) methodology, i.e., a combination of group contribution and atom connectivity index modeling. Here, the …” „… practice, however, group contribution methods (GCMs) and quantitative structure-property relationships …”

Conclusions and outlook S. 175-178

„… quantitative structure-property relationship (QSPR) and group contribution (GC) models to identify oxygenated …” „… present thesis represents a continuation of the earlier works performed by the Marquardt group (Hechinger …” „… member of both TMFB and the Marquardt group (from 2011 to early 2017). The thesis covers four main …”

Bibliography S. 227-276

„… combined molecular modeling and group contribution. Fluid Phase Equilibria, 158:337–347. Hastie, T …” „… group contribution method for predicting the octane number of pure hydrocarbon liquids. Industrial …” „… ., and Prausnitz, J. M. (1975). Group-contribution estimation of activity coefficients in nonideal liquid …”

QSPR-based prediction of physicochemical fuel properties S. 83-106

„… wellestablished group contribution models taken from the publicly available literature (Joback and Reid, 1987 …” „… group contribution methods (GCMs) for the estimation of thermophysical properties. Based on an extensive …” „… group contribution plus (GC+) model represents the most comprehensive suite of group additivity based …”

Targeted generation of candidate structures S. 40-49

„… and melting points by means of Joback’s group contribution method (Joback and Reid, 1987). For …” „… structural variations, e.g., an additional methyl group or a slightly different position of a carboncarbon …” „… relationship modeling (Visco et al., 2002). With the aim of focussing CAMD efforts on products resulting from …”

Blend formulation by simultaneous product and pathway design S. 130-174

„… group contribution modeling. Because feedstock cost is thought to dominate total biofuel production cost …” „… UNIFAC group contribution model (Fredenslund et al., 1975; Hansen et al., 1991). Furthermore, similar to …” „… has been chosen because it is a widely-used group contribution method that is fully predictive and …”

Appendices S. 179-226

„… computed with the DCN group contribution model from Chapter 4. 204 C.2 Comparison of measurement data with …” „… : Single-molecule transformations classified by target structural groups. =O group example: butanone → 2-butanol …” „… hydrogenation of ketones/aldehydes to alcohols 1. C1 is a carbon carrying an =O group 2. C1 is not part of an …”

doi.org/10.51202/9783186954039

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VDI Wissensforum GmbH (ed.)

ELIV 2021

Series: VDI-Berichte

Volume 2384 2021

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B. Hellenthal, C. Grimm, J. Koch, A. Breckel, M. Tichy An Eco-System for the Development of Automotive Innovation Roadmaps S. 285-294

„… group is open to contributions and will integrate further participants. The contacts are given in [5 …” „… Innovations of complex systems like automobiles require contributions from many partners along the value …” „… Ministry of Education and Research (BMBF) and supported by the automotive working group of edacentrum [6 …”

doi.org/10.51202/9783181023846

Juan José Wilhelm Victoria Villeda - Reaction Network Generation and Evaluation for the Design of Biofuel Value Chains

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Juan José Wilhelm Victoria Villeda

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

Series: Verfahrenstechnik

Volume 950 2017

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Bibliography S. 170-186

„… . Biofuels from algae, pages 287–312. Constantinou, L. and Gani, R. (1994). New group contribution method for …” „… chemicals for design of sustainable processes: Development of group-contribution+ (GC+) property models and …” „… . C. (1987). Estimation of pure-component properties from group-contributions. Chem Eng Commun …”

Appendices S. 132-169

„… substances calculated by software package ICAS, employing group contribution method as presented in …” „… into hydroxyl, carbonyl, carboxylic acid and olefin group as well as hydroxy condensation pattern …” „… condensation of one hydroxy group (Furniss et al., 1989). Only one of these oxygen atoms is allowed to be in a …”

doi.org/10.51202/9783186950031

VDI Wissensform GmbH - Drivetrain Solutions for Commercial Vehicles

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VDI Wissensform GmbH (ed.)

Drivetrain Solutions for Commercial Vehicles

Series: VDI-Berichte

Volume 2421 2023

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T. Jonsson, S. Balaji, G. Sivaraman, V. Ravindran, J. Engström Effects of PWM on losses and comparison of calculation approaches S. 47-58

„… additional losses in comparison to sinusoidal current only, thus to characterize the contribution of PWM …” „… frequencies relative the fundamental , here corresponds to the 1st Fsw carrier group. A good agreement …” „… frequency’ contribution towards increased currents associated with frequency. Whereas, at higher modulation …”

doi.org/10.51202/9783181024218

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VDI Wissensforum GmbH (ed.)

Automation 2023

Series: VDI-Berichte

Volume 2419 2023

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R. Hana, I. Ünal, T. Kleinert Scaling up anomaly detection in measurement data for process plants S. 915-926

„… technical effort associated with other methods. In this contribution, an engineering assistance tool is …” „… ]. Nevertheless, they paved the way for structure-based automation of automation. In this contribution, we …” „… basic first principle models or correlation-based methods. Each identified group of field devices can …”

R. Hana, T. Kleinert Semantic models in process monitoring – Semantic models for field device performance monitoring in the process industry in the context of industry 4.0 S. 233-244

„… monitoring of field devices. 2. Introduction In this contribution, a concept is presented on how a …” „… integration of changes in plant setup. The contribution presents this general concept of a field device …” „… structure that provides access to multiple functionalities. The limitation of OPC-UA lies in modeling …”

S. Grüner, W. Otten DEXPI submodel for Industry 4.0 Asset Administration Shell – Towards a Digital Thread through Engineering and Operations S. 337-350

„… group including of operators from multiple verticals, engineering companies, software tool vendors and …” „… (IDTA) where a respective working group was founded in April 2022. The group consists of representatives …” „… of the DEXPI working group, oil VDI-Berichte Nr. 2419, 2023338and gas industry, engineering and …”

M. Hoernicke, K. Stark, N. Schoch Modular automation engineering for conventional plants S. 959-972

„… be lifted for conventional production plants, too. This contribution will show a concept of a modular …” „… functionality. The basic FM concept and usage is described in [8]. This con-tribution focusses on the variant …” „… described in [9]. All elements that are fully contained in one semantic group belong to the same semantic …”

W. Guo, W. Sun, D. Vrucak, I. Garmaev, T. Kleinert, B. Friedrich, K. Greiff Strukturierung der Datenerhebung für die Recyclingphase: Recycelbare Metalle von Smartphones S. 805-818

„… data model for estimating the raw materials of diverse smartphone components. 3.1 Data modeling After …” „… modeling can be summarized as follows. Initially, users input basic smartphone parameters, which are stored …” „… Electronics Group of the Center for Circular Econ-omy (CCE). Different institutes of faculty 5 collaborate in …”

G. Ghasemi, D. Braun, N. Jazdi, M. Weyrich, S. Holtkotte, N. Richter, J. Birk A data-driven approach to analyze industrial process alarms using the association analysis method S. 777-790

„… flooding. The difficult task thereby is to identify the group borders [9]. The main goals of this research …” „… alarm management for the operator subsequently. The contributions of this paper are the following …” „… and root cause analysis. In [13], alarm analysis methods compromise two metrics to group the alarms …”

doi.org/10.51202/9783181024195

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