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2nd Italian Conference on Big Data and Data Science, ITADATA 2023

作者： Ferlita, Alessandro La Qi, Yan Di Nardo, Emanuel Mewes, Simon El Moctar, Ould Ciaramella, Angelo University of Duisburg-Essen Duisburg47057 Germany Institute of Ship Technology Ocean Engineering and Transport Systems Department of Mechanical and Process Engineering Germany University of Naples Parthenope Naples80133 Italy Department of Science and Technology Italy

Wave energy spectra are used to create sea states and to obtain ship motion transfer functions for different frequencies. These transfer functions are non-linear. Hence, the precise estimation is not straightforward. In this study, the spectral parameters, significant wave height and peak period, are obtained via a deep neural network (DNN) approach using the ship motions as input variables. The main advantage of such a method lies in its possibility to predict the spectral parameters without the use of ship specific properties. © 2023 Copyright for this paper by its authors.

关键词： Deep neural networks

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Life cycle-oriented decision making based on data-driven building models 40

Life cycle-oriented decision making based on data-driven bui...

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40th International Symposium on Automation and Robotics in Construction, ISARC 2023

作者： Bartels, Niels Pleuser, Josephine Schroeder, Timo Faculty of Process Engineering Energy and Mechanical Systems University of Applied Sciences Köln Germany Faculty of Civil Engineering and Environmental Technology University of Applied Sciences Köln Germany REHUB digitale Planer Cologne Germany

ISBN: (纸本)9780645832204

The integration of BIM and sustainability is a key success criterion for sustainable planning, construction and operation and maintenance. Actually, various research is conducted to integrate the economic, environmental and social aspects in the BIM method. Especially, Life Cycle Assessment (LCA) and Life Cycle Costing (LCC) are subjects of research. Although the integration of the various aspects has made significant progress in recent years, the complete life cycle is not regularly considered, but rather individual life cycle phases (such as design and construction). This is particularly due to the fact that building components consisting of different components are regularly included in the LCA and LCC calculation as a single component. The layered structure of the individual components (e.g. a wall with load-bearing elements, insulation, plaster and others) is thus not included in the respective calculations. However, it is a relevant criterion, since the conversion and renovation of buildings and the associated emissions and costs are strongly dependent on the layered structure and the deconstructability. Against this background, this paper presents a BIM- and data-based simulation of LCA and LCC to enable an optimized and realistic estimation of costs and emissions over the life cycle of building. The layered structure of building components is used to simulate the findings in a Proof-of-Concept (PoC). This paper shows, that BIM is a success criterion for the simulation of LCA and LCC and improves the construction and real estate industry's ability to implement sustainability concepts more effectively. It also indicates success factors for life cycle-orientated decision making as processes or definitions for the quality of information. © ISARC 2023. All rights reserved.

关键词： Life cycle

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THERMODYNAMIC ANALYSIS OF BIOGAS-TO-METHANOL CONVERSION WITH CH4 RECYCLING USING ASPEN HYSYS 23

THERMODYNAMIC ANALYSIS OF BIOGAS-TO-METHANOL CONVERSION WITH...

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23rd World Hydrogen Energy Conference: Bridging Continents by H2, WHEC 2022

作者： Rosha, Pali Ibrahim, Hussameldin Clean Energy Technologies Research Institute Process Systems Engineering Faculty of Engineering and Applied Science University of Regina 3737 Wascana Parkway ReginaSK Canada

ISBN: (纸本)9786250008430

The methanol synthesis from syngas derived through dry reforming of biogas was studied using an Aspen HYSYS simulator. Studies revealed that hydrocarbon reforming is a practical approach to produce energy-efficient renewable fuels. In this simulation study, an initiative was made to utilize biogas for renewable methanol production using Aspen HYSYS simulator. In the biogas dry reforming process, it was observed that the reactant (CH4 and CO2) conversions are largely favoured at elevated temperature (900°C) and ambient pressure (1 bar). Moreover, at optimal parametric conditions, i.e., 200°C (temperature) and 100 bar (pressure), the methanol production rate of 24.7 kg/h was assessed. However, the variation in syngas product distribution was observed w.r.t. temperature and pressure in the water gas shift reactor. Hence, based on the above observations, it can be stated that the biogas-to-methanol process is eco-friendlier, and might be used to mitigate greenhouse gases. © 2022 Proceedings of WHEC 2022 - 23rd World Hydrogen Energy Conference: Bridging Continents by H2. All rights reserved.

关键词： Recycling

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Chemical Recycling processes of Nylon 6 to Caprolactam: Review and Techno-Economic Assessment

SSRN

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SSRN 2023年

作者： Minor, Ann-Joelle Goldhahn, Ruben Rihko-Struckmann, Liisa K. Sundmacher, Kai Max Planck Institute for Dynamics of Complex Technical Systems Process Systems Engineering Sandstorstr. 1 Magdeburg39106 Germany Chair for Process Systems Engineering Otto-von-Guericke University Universitätsplatz 2 Magdeburg39106 Germany

Chemical recycling has increasingly gained attention in order to mitigate environmental pollution and facilitate the transition to a circular economy. Yet only a minor fraction of the polyamide 6 waste is chemically recycled to its monomer caprolactam. The present paper provides a systematic overview of the different chemical polyamide 6 re-monomerization pathways, an analysis of each pathway's reaction mechanism, a comprehensive simulation and techno-economic comparison of alcoholysis, and neutral, acidic, and alkaline hydrolysis as well as a general elaboration of process opportunities for the chemical recycling of polyamide 6. A conceptual process design was carried out using a connected Aspen Plus and Python model. The results indicate that alkaline hydrolysis is the most energy-efficient process due to its simple integration of the reaction and purification section. In contrast, neutral hydrolysis using subcritical water generates by-products, which require energy-intensive separation, leading to the highest total annualized costs. Although the conventional pathway using phosphoric acid requires less energy than the alcoholysis using supercritical isopropanol, the expensive hazardous waste treatment and raw material costs make it less economically attractive. Nevertheless, a cash flow analysis shows that both alkaline and acidic hydrolysis as well as alcoholysis, become profitable within five years at the chosen scale of 12 kilotons of caprolactam per year. The results suggest that a non-volatile liquid solvent that catalyzes the backbiting depolymerization mechanism of polyamide 6 with an integrated reaction and separation zone with straight distillation or stripping of caprolactam would be the most economically and environmentally attractive process for chemical recycling of polyamide 6 © 2023, The Authors. All rights reserved.

关键词： Distillation

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Equation of state and Helmholtz energy functional for fused heterosegmented hard chains

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Physical Review E 2022年第3期105卷 034110-034110页

作者： Philipp Rehner Thijs van Westen Joachim Gross Energy and Process Systems Engineering Department of Mechanical and Process Engineering ETH Zurich Tannenstrasse 3 8092 Zurich Switzerland Institute of Thermodynamics and Thermal Process Engineering University of Stuttgart Pfaffenwaldring 9 70569 Stuttgart Germany

Modern equations of state for real nonspherical molecules are often based on Wertheim's first-order thermodynamic perturbation theory (TPT1). A major drawback of TPT1 is that it assumes tangentially bonded spheres. In this work, we develop a Helmholtz energy functional for systems comprising hard heterosegmented chains with arbitrary bond lengths. This is achieved by using hard-sphere fragments (i.e., hard spheres with spherical caps removed at the intersection to their neighbors) as monomers as opposed to full hard spheres. The model is written as a Helmholtz energy functional for inhomogeneous systems and the equation of state for a homogeneous system is determined as a special case. We thereby obtain an equation of state that can be used as a reference to develop statistical associating fluid theory models that more accurately describe the thermodynamic properties of nonspherical molecules. The model is validated against molecular simulation results of bulk pressures and density profiles in slit pores. For the bulk pressures, we show that the equation of state is in excellent agreement with results from molecular simulation for dimers, trimers, and chains of up to 20 segments. The density profiles of individual segments of the chains are regarded in slit pores. Some deviations of the theory from results of molecular simulations are observed for strongly fused chains. Overall, however, good agreement is found for inhomogeneous systems.

关键词： Equations of state Interface & surface thermodynamics Thermodynamics Density functional theory

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THERMODYNAMIC ANALYSIS OF BIOGAS-TO-SYNGAS CONVERSION WITH DRY OXIDATIVE REFORMING AND CH4 RECYCLING USING ASPEN HYSYS 23

THERMODYNAMIC ANALYSIS OF BIOGAS-TO-SYNGAS CONVERSION WITH D...

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23rd World Hydrogen Energy Conference: Bridging Continents by H2, WHEC 2022

ISBN: (纸本)9786250008430

Syngas synthesis from biogas through the dry oxidative reforming route was studied using an Aspen HYSYS simulator. This study dealt with the biogas-to-syngas conversion process's feasibility;initially, the simulation outcomes concerning O2 effects in dry oxidative reforming, followed by their parametric optimization w.r.t. temperature and O2/CH4 ratio, were studied. The simulation outcomes of reported work revealed that the CH4 conversion influenced primarily by O2 injecting, particularly at lower temperature range. At all temperatures, CO2 conversion was found to be less in dry oxidative reforming when compared to dry reforming, but the conversion rate improved at 0.20 O2/CH4 ratio. Further, the CH4 recycling loop showed positive effects in CH4 conversion and CO2 emission reduction. For model validation, the simulated outcomes were compared with the previous experimental study in biogas reforming was carried out using pure nickel nanoparticles. Overall, the study infers that the dry oxidative reforming integrated with CH4 recycling can be an enviro-friendly route for syngas production. © 2022 Proceedings of WHEC 2022 - 23rd World Hydrogen Energy Conference: Bridging Continents by H2. All rights reserved.

关键词： Recycling

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Mandelic Acid Single-Crystal Growth:Experiments vs Numerical Simulations

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Communications in Computational Physics 2023年第1期33卷 77-100页

作者： Q.Tan S.A.Hosseini A.Seidel-Morgenstern D.Thevenin H.Lorenz Laboratory of Fluid Dynamics and Technical Flows University ofMagdeburg“Otto von Guericke”D-39106MagdeburgGermany Department of Mechanical and Process Engineering ETH Zurich8092 ZurichSwitzerland Max Planck Institute for Dynamics of Complex Technical Systems(MPI DCTS) 39106MagdeburgGermany

Mandelic acid is an enantiomer of interest in many areas,in particular for the pharmaceutical *** of the approaches to produce enantiopure mandelic acid is through crystallization from an aqueous *** propose in this study a numerical tool based on lattice Boltzmann simulations to model crystallization dynamics of(S)-mandelic *** solver is first validated against experimental *** is then used to perform parametric studies concerning the effects of important parameters such as supersaturation and seed size on the growth *** is finally extended to investigate the impact of forced convection on the crystal *** on there parametric studies,a modification of the reactor geometry is proposed that should reduce the observed deviations from symmetrical growth with a five-fold habit.

关键词： Mandelic acid phase-field model lattice Boltzmann method ventilation effect

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Fire Test of an Equipment for Hydrogen Powered Aircraft 11

Fire Test of an Equipment for Hydrogen Powered Aircraft

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11th IEEE International Workshop on Metrology for AeroSpace, MetroAeroSpace 2024

作者： Rogalski, Tomasz Pieniazek, Jacek Ciecinski, Piotr Szukiewicz, Miroslaw Drajewicz, Marcin Chmiel-Szukiewicz, Elzbieta Smusz, Robert Rzeszow University of Technology Department of Avionics and Control Systems Rzeszow Poland Rzeszow University of Technology Department of Chemical and Process Engineering Rzeszow Poland Rzeszow University of Technology Department of Materials Science Rzeszow Poland Rzeszow University of Technology Department of Organic Chemistry Rzeszow Poland Rzeszow University of Technology Department of Thermadynamics Rzeszow Poland

ISBN: (纸本)9798350385045

Hydrogen fuel for aviation is a new idea. Its successful implementation requires new research and new technologies. One of them is the verification of the operation of the devices and their survivability in a hydrogen flame. The main topic of the article is the development of the hydrogen research and testing laboratory. Testing the flammability of hydrogen-containing systems is a challenge due to the very high explosiveness. The need to ensure the safety of both personnel and buildings means that the preparation of a stand for testing the flammability of aircraft systems should be treated differently from before. The article presents the design of a stand for fire resistance tests. Tests of fire resistance of various elements of aircraft systems, which in the event of an accident may be within the range of the hydrogen flame and elements of the hydrogen installation itself, are the main applications of the presented laboratory stand. © 2024 IEEE.

关键词： Heat flux

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Surplus-Based ADMM for Distributed Constrained Optimization over Directed Graphs 63

Surplus-Based ADMM for Distributed Constrained Optimization ...

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63rd IEEE Conference on Decision and control, CDC 2024

作者： Ji, Qiutong Wen, Guanghui Yang, Tao Southeast University School of Cyber Science and Engineering Nanjing211189 China Southeast University Department of Systems Science School of Mathematics Nanjing211189 China Northeastern University State Key Laboratory of Synthetical Automation for Process Industries Shenyang110819 China

ISBN: (纸本)9798350316339

This paper introduces a distributed parallel Alternating Direction Method of Multipliers (ADMM) algorithm for solving the distributed constrained optimization problem over directed graphs. To effectively handle the effect of asymmetric information communication on the convergence of the optimization algorithm, a surplus-based averaging consensus algorithm is integrated into the ADMM-based optimization algorithm. Unlike existing distributed ADMM algorithms over directed graphs that focus on the case with solely local constraints, the proposed algorithm can deal with both local constraints and coupling constraints. Under the assumption that the objective function is convex and the underlying graph is strongly connected, the convergence of the surplus-based ADMM to an optimal solution of the distributed constrained problem is proved. Finally, numerical simulations are conducted to validate the effectiveness of the proposed algorithm. © 2024 IEEE.

关键词： Consensus algorithm

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Molecular dynamics simulations of ovalbumin adsorption at squalene/water interface

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Chinese Journal of Chemical engineering 2022年第10期50卷 369-378页

作者： Qingxia Xiong Ying Ren Yufei Xia Guanghui Ma Reiji Noda Wei Ge State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Division of Environmental Engineering Science Graduate School of Science and TechnologyGunma University1-5-1 Tenjin-choKiryuGunma 376-8515Japan State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing 100190China

The adsorption of protein molecules to oil/water(O/W)interface is of critical importance for the product design in a wide range of technologies and industries such as biotechnology,food industry and pharmaceutical *** this work,with ovalbumin(OVA)as the model protein,the adsorption conformations at the O/W interface and the adsorption stability have been systematically studied via multiple simulation methods,including all-atom molecular dynamic(AAMD)simulations,coarse-grained molecular dynamic(CGMD)simulations and enhanced sampling *** computational results of AAMD and CGMD show that the hydrophobic tail of OVA tends to be folded under long time relaxation in aqueous phase,and multiple adsorption conformations can exist at the interface due to heterogeneous interactions raising from oil and water *** further study the adsorption sites of the protein,the adsorption kinetics of OVA at the O/W interface is simulated using metadynamics method combined with CGMD simulations,and the result suggests the existence of multiple adsorption conformations of OVA at interface with the head-on conformation as the most stable *** all,this work focuses on the adsorption behaviors of OVA at squalene/water interface,and provides a theoretical basis for further functionalization of the proteins in emulsion-based products and engineering.

关键词： Molecular dynamicssimulation Metadynamics Protein adsorption Structural stability Ovalbumin

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