Energieinformatik

Due to the increasing importance of producing and consuming energy more sustainably, Energy Informatics (EI) has evolved into a thriving research area within the CS/IS community. The article attempts to characterize this young and highly dynamic field of research by describing current EI research topics and methods and provides an outlook of how the field might evolve in the future. It is shown that two general research questions have received the most attention so far and are likely to dominate the EI research agenda in the coming years: How to leverage information and communication technology (ICT) to (1) improve energy efficiency, and (2) to integrate decentralized renewable energy sources into the power grid. Selected EI streams are reviewed, highlighting how the respective research questions are broken down into specific research projects and how EI researchers have made contributions based on their individual academic background.     

Modification of margarine fats by enzymatic interesterification: Evaluation of a solid-fat-content-based exponential model with two groups of oil blends

Lipozyme TL IM-catalyzed interesterification for the modification of margarine fats was carried out in a batch reactor at 70°C with a lipase dosage of 4%. Solid fat content (SFC) was used to monitor the reaction progress. Lipase-catalyzed interesterification, which led to changes in the SFC, was assumed to be a first-order reversible reaction. Accordingly, the change in SFC vs. reaction time was described by an exponential model. The model contained three parameters, each with a particular physical or chemical meaning: (i) the initial SFC (SFC₀), (ii) the change in SFC (ΔSFC) from the initial to the equilibrium state, and (iii) the reaction rate constant value (k). SFC_o and ΔSFC were related to only the types of blends and the blend ratios. The rate constant k was related to lipase activity on a given oil blend. Evaluation of the model was carried out with two groups of oil blends, i.e., palm stearin/coconut oil in weight ratios of 90∶10, 80∶20, and 70∶30, and soybean oil/fully hydrogenated soybean oil in weight ratios of 80∶20, 65∶35, and 50∶50. Correlation coefficients higher than 0.99 between the experimental and predicted values were observed for SFC at temperatures above 30°C. The model is useful for predicting changes in the SFC during lipase-catalyzed interesterification with a selected group of oil blends. It also can be used to control the process when particular SFC values are targeted.     

IISPH‐FLIP for incompressible fluids

We propose to use Implicit Incompressible Smoothed Particle Hydrodynamics (IISPH) for pressure projection and boundary handling in Fluid‐Implicit‐Particle (FLIP) solvers for the simulation of incompressible fluids. This novel combination addresses two issues of existing SPH and FLIP solvers, namely mass preservation in FLIP and efficiency and memory consumption in SPH. First, the SPH component enables the simulation of incompressible fluids with perfect mass preservation. Second, the FLIP component efficiently enriches the SPH component with detail that is comparable to a standard SPH simulation with the same number of particles, while improving the performance by a factor of 7 and significantly reducing the memory consumption. We demonstrate that the proposed IISPH‐FLIP solver can simulate incompressible fluids with a quantifiable, imperceptible density deviation below 0.1%. We show large‐scale scenarios with up to 160 million particles that have been processed on a single desktop PC using only 15GB of memory. One‐ and two‐way coupled solids are illustrated.     

The Failure of the Strong Pumping Lemma for Multiple Context-Free Languages

Seki et al. (Theor. Comput. Sci. 88(2):191–229, 1991) showed that every m-multiple context-free language L is weakly 2m-iterative in the sense that either L is finite or L contains a subset of the form \(\{ u_{0} w_{1}^{i} u_{1} \cdots w_{2m}^{i} u_{2m} \mid i \in \mathbb {N}\}\) , where w ₁?w _2n ≠ε. Whether every m-multiple context-free language L is 2m-iterative, that is to say, whether all but finitely many elements z of L can be written as z=u ₀ w ₁ u ₁?w _2m u _2m with w ₁?w _2m ≠ε and \(\{ u_{0} w_{1}^{i} u_{1} \cdots w_{2m}^{i} u_{2m} \mid i \in \mathbb {N}\} \subseteq L\) , has been open. We show that there is a 3-multiple context-free language that is not k-iterative for any k.     

Quantifying the evolution of TTCN-3 as a language

Ten years of maintenance, nine published revisions of the standards for the Testing and Test Control Notation version 3 (TTCN-3), more than 500 change requests since 2006, and 10 years of activity on the official TTCN-3 mailing list add up to a rich history, not unlike that of many successful Open Source Software (OSS) projects. In this article, we contemplate TTCN-3 in the context of software evolution and examine its history quantitatively. We mined the changes in the textual content of the standards, the data in change requests from the past 5 years, and the mailing list archives from the past 10 years. In addition, to characterize the use of the TTCN-3 we investigated the meta-data of the contributions at the TTCN-3 User Conference, and the use of language constructs in a large-scale TTCN-3 test suite. Based on these data sets, we first analyze the amount, density, and location of changes within the different parts of the standard. Then, we analyze the activity and focus of the user community and the maintenance team in both the change request management system and the official TTCN-3 mailing list. Finally, we analyze the distribution of contributions at the TTCN-3 User Conference across different topics over the past 8 years and construct use anomalies during the development of a large-scale test suite. Our findings indicate that the TTCN-3 is becoming increasingly stable as the overall change density and intensity, as well as the number of change requests are decreasing, despite the monotonous increase in the size of the standards.     

Proline versus charge concept for protein stabilization against proteolytic attack

The virtue of the so-called ‘proline concept’ andthe ‘charge concept’ for stabilizing protease-susceptibleregions of a protein structure was compared on bovine pancreaticribonuclease A. Alanine 20 and serine 21, both of whichare located in a loop that is susceptible to the unspecificproteases subtilisin Carlsberg, subtilisin BPN', proteinaseK and elastase, were replaced with proline or lysine by site-directedmutagenesis. The rate constant of proteolysis was decreasedby up to three orders of magnitude for the proline mutants dependingon the site of the mutation and the protease used. In contrast,substitution by lysine increased the proteolytic resistanceby only one order of magnitude characterizing the ‘prolineconcept’ as superior to the ‘charge concept’.Although the four applied proteases are considered to be unspecific,the degree of stabilization of the ribonuclease molecule variedconsiderably, indicating the impact of individual differencesin their substrate specificity on the proteolytic resistanceand degradation pathway of the target protein. Received May 12, 2003; revised October 23, 2003; accepted October 30, 2003     

Synthesis of end-branched poly(ethylene glycol)s by aqueous atom transfer radical polymerization

Summary This article reports the synthesis of novel hydrophilic end-branched poly(ethylene glycol)s, in aqueous media by atom transfer radical polymerization (ATRP). Poly(ethylene glycol)s with molecular weights 10,000 and 16,000 were end-functionalized and used as bifunctional initiators for the polymerization of a poly(ethylene glycol) macromonomer with a molecular weight of 2,000 (PEGMA), either by aqueous ATRP or in a watedmethanol (l/l V/V) mixture. For both macroinitiators a DP of 10 was the target, giving an average of 5 branches in each end. The rates of polymerization were of the same order of magnitude when the polymerizations were initiated by either of the two macroinitiators in watedmethanol (l/l V/V). When a bifunctional oligo(ethy1ene glycol) initiator (M_n = 600) was used to study the polymerization of PEGMA in water/methanol a reduction in the rate of polymerization was observed indicating an influence of the molecular weight of the initiator on the rate of polymerization. Received 25 Maich 2002/Revised 8 November 2002/Accepted 8 November 2002 Correspondence to Jorgen Kops     

Hydroisomerization of Renewable and Fossil n-Alkanes over Bifunctional Dealuminated ZSM-5 Catalysts

The hydroisomerization of two long-chain n-alkane mixtures was investigated over bifunctional Pt/H-ZSM-5 catalysts before and after dealumination of preshaped zeolite/binder pellets. The hydroisomerization over the dealuminated catalysts leads to more isomers and less cracking products. Consequently, higher ratios of multi- to mono-branched isomerization products are formed as expected for large- rather than medium-pore zeolites. This indicates a higher availability of space in the vicinity of the active sites and provides an attractive route to make medium-pore zeolites suitable for upgrading higher boiling hydrocarbon feeds.