Reliability of complex chemical engineering processes

This paper presents a stochastic performance modelling approach that can be used to optimise design and operational reliability of complex chemical engineering processes. The framework can be applied to processes comprising multiple units, including the cases where closed form process performance functions are unavailable or difficult to derive from first principles, which is often the case in practice. An interface that facilitates automated two-way communication between Matlab^® and process simulation environment is used to generate large process responses. The resulting constrained optimisation problem is solved using both Monte Carlo Simulation (MCS) and First Order Reliability Method (FORM); providing a wide range of stochastic process performance measures. Adding such capabilities to traditional deterministic process simulators provides a more informed basis for selecting optimum design factors; giving a simple way of enhancing overall process reliability and cost-efficiency. Two case study systems are considered to highlight the applicability and benefits of the approach.     

Landau-Zener模型中纠缠演化及转移的研究

研究了受外场驱动的两个二能级系统分别与两个单模量子化光场相互作用模型中纠缠演化及转移问题。该工作主要是对外场驱动的Landau-Zener模型进行了研究，采用旋转波近似的方法，通过数值计算详细分析了二能级系统初始状态、能级间的耦合常数以及驱动外场的参数对子系统间纠缠和转移特性的影响。结果表明，适当调节模型中的参数，可以使系统初始纠缠完全转移为光腔场间的纠缠，实现二能级系统与光场间的最大纠缠转移。     

Value chain analysis of bio-coal business in Finland: Perspectives from multiple value chain members

The purpose of this study is to provide a comprehensive outline of the Value Chain (VC)¹ of bio-coal in Finland, define the proper business models of bio-coal business, and investigate the interrelationships between VC activities. The major findings are: 1) the study found significant interrelationships between support and primary activities in the bio-coal VC which suggest that we should not emphasis only the core value/primary activities of the bio-coal business, but pay more attentions to the “side values”/support activities; 2) The study identified political and environmental factors as the effective drivers, while technology and cost-profit uncertainty as major restrictions for the Finnish bio-coal business. The authors would like to suggest that instead of purely “environmental concerns”, the term “sustainability credentials” should be emphasized, which means value creating and adding items should not limit to monetary values, but consider social and environmental value propositions. 3) The study identified “low competition” in the current bio-coal business in Finland, which implies opportunities of market entrance for Finnish and international companies; 4) The study identified that the current Finnish bio-coal model is the decentralized model at the local level. However, the future Finnish bio-coal model will be a large scaled model, with a focus on export sales.     

In Silico Analysis and Experimental Validation of Active Compounds from Cichorium intybus L. Ameliorating Liver Injury

This study aimed at investigating the possible mechanisms of hepatic protective activity of Cichorium intybus L. (chicory) in acute liver injury. Pathological observation, reactive oxygen species (ROS) detection and measurements of biochemical indexes on mouse models proved hepatic protective effect of Cichorium intybus L. Identification of active compounds in Cichorium intybus L. was executed through several methods including ultra performance liquid chromatography/time of flight mass spectrometry (UPLC-TOF-MS). Similarity ensemble approach (SEA) docking, molecular modeling, molecular docking, and molecular dynamics (MD) simulation were applied in this study to explore possible mechanisms of the hepato-protective potential of Cichorium intybus L. We then analyzed the chemical composition of Cichorium intybus L., and found their key targets. Furthermore, in vitro cytological examination and western blot were used for validating the efficacy of the selected compounds. In silico analysis and western blot together demonstrated that selected compound 10 in Cichorium intybus L. targeted Akt-1 in hepatocytes. Besides, compound 13 targeted both caspase-1 and Akt-1. These small compounds may ameliorate liver injury by acting on their targets, which are related to apoptosis or autophagy. The conclusions above may shed light on the complex molecular mechanisms of Cichorium intybus L. acting on hepatocytes and ameliorating liver injury.     

Nonlinear dynamic behaviors and control based on simulation of high-purity heat integrated air separation column

In this paper, the dynamic behaviors on the basis of simulation for high-purity heat integrated air separation column (HIASC) are studied. A nonlinear generic model control (GMC) scheme is proposed based on the nonlinear behavior analyses of a HIASC process, and an adaptive generic model control (AGMC) scheme is further presented to correct the model parameters online. Related internal model control (IMC) scheme and multi-loop PID (M-PID) scheme are also developed as the comparative base. The comparative researches are carried out among these linear and nonlinear control schemes in detail. The simulation research results show that the proposed AGMC schemes present advantages in both servo control and regulatory control for the high-purity HIASC.     

Simplified anode architecture for PEMFC systems based on alternative fuel feeding: Experimental characterization and optimization for automotive applications

The need to reduce PEMFC systems cost as well as to increase their durability is crucial for their integration in various applications and especially for transport applications. A new simplified architecture of the anode circuit called Alternating Fuel Feeding (AFF) offers to reduce the development costs. Requiring a new stack concept, it combines the simplicity of Dead-End Anode (DEA) with the operation advantages of the hydrogen recirculation. The three architectures (DEA, recirculation and AFF) are compared in terms of performance on a 5-kW test bench in automotive conditions, through a sensitivity analysis. A gain of 17% on the system efficiency is observed when switching from DEA to AFF. Moreover, similar performances are obtained both for AFF and for recirculation after an accurate optimization of the AFF tuning parameters. Based on DoE data, a gain of 25% on the weight of the anodic line has been identified compared to pulsed ejector architecture and 43% with the classic recirculation architecture with blower only (Miraï).     

Sustainability of ride-hailing services in China’s mobility market: A simulation model of socio-technical system transition

As a symbol of sharing economy, ride-hailing services have spread to Asia, where various forms of services have been established according to the existing socio-technical regimes, including legal, policy, and environmental concerns. China, in particular, has accepted ride-hailing services by revising existing institutions. This study analyzes China’s acceptance of ride-hailing services in the socio-technical system context set up for legacy services. Simulation modeling, combined with transition theory and an agent-based model, is used to analyze the data. This study calculates consumer disutility based on mobility market share, reflecting consumer preference, and predicts the sustainability of ride-hailing services. The simulation results conclude that legalization and socio-technical context are of importance for sustainable mobility.     

An integrated approach to analysing the cost efficiency of postal networks

An integrated approach to measure the cost efficiency of the postal network of Universal Service Provider is proposed. An integrated approach enables the measurement of cost efficiency for delivery and non-delivery postal network units. The proposed approach is verified and tested on the postal network of the selected provider and the results were derived by using Data Envelopment Analysis (DEA). The results show that the main sources of inefficiency are inadequate allocation of resources relative to the network units. In addition, the study indicates that economies of scale have a positive impact on the efficiency of postal network units.     

基于空气质量模拟的江苏省大气污染物排放清单比较研究

大气污染物排放清单是空气质量模拟和空气污染治理的重要依据.本研究比较分析了两套覆盖江苏省的2017年大气污染物排放清单，即分别由上海市环境科学研究院、江苏省环境科学研究院编制的"长三角清单"和"江苏省清单"，并结合区域空气质量模型CMAQ评估不同清单对长三角地区2017年1、4、7、10月的空气质量模拟的影响.清单比较结果表明，除二氧化硫（SO₂）以外，江苏省清单估算的各污染物排放量较长三角清单低.通过与观测数据比较，发现两套清单对SO₂、氮氧化物（NO_x）、臭氧（O₃）和细颗粒物（PM_2.5）的模型模拟性能均较好.江苏省清单与长三角清单两者的模拟结果空间分布接近，其中江苏省清单模拟的PM_2.5和O₃在长三角多数地区略低于长三角清单的模拟结果（1月O₃除外）.江苏省清单与长三角清单均能够用于空气质量模式模拟，可为江苏地区的细颗粒物和光化学烟雾污染的控制策略制定提供参考.     

Evolving an Accurate Decision Tree-Based Model for Predicting Carbon Dioxide Solubility in Polymers

Solubility is one of the most indispensable physicochemical properties determining the compatibility of components of a blending system. Research has been focused on the solubility of carbon dioxide in polymers as a significant application of green chemistry. To replace costly and time-consuming experiments, a novel solubility prediction model based on a decision tree, called the stochastic gradient boosting algorithm, was proposed to predict CO₂ solubility in 13 different polymers, based on 515 published experimental data lines. The results indicate that the proposed ensemble model is an effective method for predicting the CO₂ solubility in various polymers, with highly satisfactory performance and high efficiency. It produces more accurate outputs than other methods such as machine learning schemes and an equation of state approach.