A kinetic modelling study of ethane cracking for optimal ethylene yield

Current generation steam cracking plants are considered to be mature. As a consequence it is becoming more and more important to know whether the underlying mechanistic cracking process offers still scope for further improvements. The fundamental kinetic limits to cracking yields have recently been researched in detail for different feed stocks with a new synthesis reactor model, d-RMix, incorporating a large scale mechanistic reaction scheme, SPYRO^® [M.W.M. van Goethem, S. Barendregt, J. Grievink, J.A. Moulijn, P.T.J. Verheijen “Model-based, thermo-physical optimisation for high olefin yield in steam cracking reactors”, Chemical Research and Engineering Developments 88 (2010) 1305–1319]. Mathematical optimization revealed for ethane cracking a maximum ethylene yield of about 67 wt%. with a linear-concave optimal temperature profile along the reaction coordinate with a maximum temperature between 1200 and 1300 K. Further mechanistic analysis of these results showed that the linear-concave shape not only suppresses the successive dehydrogenation and condensation reactions of ethylene, but mainly reduces the role of the ethane initiation reaction to form two methyl radicals.     

Detailed kinetic modeling of the thermal degradation of lignins

The aim of this kinetic work is to provide a better understanding of the pyrolysis of lignin and biomasses not only in terms of devolatilazation rate but also of the volatile species released. The complexity of both lignin structure and its degradation mechanism meant that a lumping approach suitable for handling the huge amount of initial, intermediate and final products had to be used. Despite these simplifications, the proposed semi-detailed kinetic scheme involves about 100 molecular and radical species in 500 elementary and lumped reactions. It has already been proved that this lignin devolatilization model correctly predicts the degradation rates and the detail of the released products. This work constitutes an initial yet significant step towards deriving a complete kinetic scheme of biomass devolatilization.     

Stochastic and recursive estimation of the hygro-thermo-chemical-mechanical parameters of concrete through Monte Carlo analysis and extended Kalman filter

Structural and Multidisciplinary Optimization - Hygro-thermo-chemical-mechanical models, used to determine the variations over time of temperature, relative humidity and shrinkage induced...     

A wide range kinetic modeling study of the pyrolysis and combustion of naphthenes

The aim of this paper is to analyze and discuss the kinetics of the pyrolysis and combustion of naphthenes. The primary propagation reactions of cyclohexane and methylcyclohexane are presented to extend the validity of a semi-detailed kinetic model for the pyrolysis and oxidation of hydrocarbons. Naphthenes are relevant species as reference components in liquid fuels and surrogate blends. A lumped approach is used to reduce the complexity of the overall scheme in terms of species and reactions. Particular attention is devoted to the role of the isomerization or internal abstraction of H atoms in competition with β−decomposition ones. Primary oxidation and decomposition reactions of the cyclohexyl radical are discussed to explain and justify this lumping procedure. The modeling predictions are compared with different sets of measurements. The validation of the low temperature oxidation mechanism of cyclohexane is based on the ignition delay times obtained both in the rapid compression machine at Lille and in closed vessels. Jet-stirred reactors at different pressures and stoichiometric ratios also confirm the reliability of the overall mechanism of oxidation. The comparisons between the model’s predictions and the measurements relating to the pyrolysis and oxidation of methylcyclohexane in the Princeton turbulent flow reactor further support this extension of the kinetic scheme to naphthenes. Finally, the agreement with the oxidation experiments using mixtures of toluene + methylcyclohexane is a primary and simple example of the model’s ability to deal with the combustion of real fuels or surrogate blends.     

Performance and design of shear connectors in composite beams with parallel profiled sheeting at elevated temperatures

This paper describes an extensive experimental and numerical study conducted to evaluate the thermo-structural response of shear connectors embedded in composite slabs with steel sheeting parallel to the steel beam, with particular focus on opentrapezoidal profiles. For this purpose, eight push-out tests were carried out at different levels of temperature. A threedimensional finite element model was developed in Abaqus and its accuracy was validated against the experimental measurements collected as part of this study. The model was then used to perform a parametric study to gain insight into the structural response at different temperatures. The experimental and numerical results were then used to evaluate the accuracy of available European guidelines for predicting the capacity of shear connectors at elevated temperatures (when embedded in composite slabs with the profiled sheeting parallel to the steel beam). Finally, a new design equation was proposed to calculate the degradation factor defining the resistance of shear connectors for different levels of temperature.     

Beam tests of composite steel-concrete members: A three-dimensional finite element model

Modern construction makes frequent use of composite steel-concrete beams for bridge and building applications. This paper describes a three-dimensional finite element model in which all components forming the composite member are modelled by means of solid elements. The proposed approach is developed using the commercial software Abaqus and is able to model the composite response without requiring information from push-out tests commonly performed to define the constitutive relationship for the shear connectors. All materials are assumed to behave in a nonlinear fashion. Contact between the elements is simulated using surface-to-surface and embedment techniques. The adequacy and accuracy of the proposed modelling approach are validated against experimental results available in the literature on simply-supported and continuous beam tests with both solid and composite slabs.     

不同优化算法在工程实际中的主要特点及优势

算法取代工程师的人工调试工作一直是一个比较热门的结构设计研究方向,但未大量应用于工程实际。主要介绍了实际工程中,利用结构设计行业内出现的新变量,如更高效的优化算法、编程能力在新一代结构设计从业人员中的普及、国内一线设计软件逐步开放程序控制接口等,针对不同工程实际问题采用不同算法进行设计的实际案例;并介绍了采用算法设计的优势,如在超高层设计中采用了响应面算法优化型钢用量,在大跨度天幕设计中采用模拟退火算法进行曲线找形,在桩基设计中通过对桩布置进行参数化快速设计更新。通过这些案例笔者认为结构设计行业推广算法设计的条件已基本具备。     

Monitoring of melting refreezing cycles of snow with microwave radiometers: the Microwave Alpine Snow Melting Experiment (MASMEx 2002-2003)

A study of the melting cycle of snow was carried out by using ground-based microwave radiometers, which operated continuously 24 h/day from late March to mid-May in 2002 and from mid-February to early May in 2003. The experiment took place on the eastern Italian Alps and included micrometeorological and conventional snow measurements as well. The measurements confirmed the high sensitivity of microwave emission at 19 and 37 GHz to the melting-refreezing cycles of snow. Moreover, micrometeorological data made it possible to simulate snow density, temperature, and liquid water content through a hydrological snowpack model and provided additional insight into these processes. Simulations obtained with a two-layer electromagnetic model based on the strong fluctuation theory and driven by the output of the hydrological snowpack model were consistent with experimental data and allowed interpretation of both variation in microwave emission during the melting and refreezing phases and in discerning the contributions of the upper and lower layers of snow as well as of the underlying ground surface.