An integrated dimensionality reduction and surrogate optimization approach for plant-wide chemical process operation

With liquefied natural gas becoming increasingly prevalent as a flexible source of energy, the design and optimization of industrial refrigeration cycles becomes even more important. In this article, we propose an integrated surrogate modeling and optimization framework to model and optimize the complex CryoMan Cascade refrigeration cycle. Dimensionality reduction techniques are used to reduce the large number of process decision variables which are subsequently supplied to an array of Gaussian processes, modeling both the process objective as well as feasibility constraints. Through iterative resampling of the rigorous model, this data-driven surrogate is continually refined and subsequently optimized. This approach was not only able to improve on the results of directly optimizing the process flow sheet but also located the set of optimal operating conditions in only 2 h as opposed to the original 3 weeks, facilitating its use in the operational optimization and enhanced process design of large-scale industrial chemical systems.     

Efficient Visible-to-UV Photon Upconversion Systems Based on CdS Nanocrystals Modified with Triplet Energy Mediators

Developing high-performance visible-to-UV photon upconversion systems based on triplet–triplet annihilation photon upconversion (TTA-UC) is highly desired, as it provides a potential approach for UV light-induced photosynthesis and photocatalysis. However, the quantum yield and spectral range of visible-to-UV TTA-UC based on nanocrystals (NCs) are still far from satisfactory. Here, three different sized CdS NCs are systematically investigated with triplet energy transfer to four mediators and four annihilators, thus substantially expanding the available materials for visible-to-UV TTA-UC. By improving the quality of CdS NCs, introducing the mediator via a direct mixing fashion, and matching the energy levels, a high TTA-UC quantum yield of 10.4% (out of a 50% maximum) is achieved in one case, which represents a record performance in TTA-UC based on NCs without doping. In another case, TTA-UC photons approaching 4 eV are observed, which is on par with the highest energies observed in optimized organic systems. Importantly, the in-depth investigation reveals that the direct mixing approach to introduce the mediator is a key factor that leads to close to unity efficiencies of triplet energy transfer, which ultimately governs the performance of NC-based TTA-UC systems. These findings provide guidelines for the design of high-performance TTA-UC systems toward solar energy harvesting.     

对“垃圾衍生燃料”RDF之探析

当前,我国水泥工业在可燃废弃物应用技术方面都还处于一家一户、自制自用、效率极低的初级阶段。发达国家的替代燃料:“垃圾衍生燃料”RDF、“固体回收燃料”SRF、“次煤”Subcoal和“纸塑垃圾衍生燃料”RPF制成的原材料都是可燃废弃物,只是处理工艺技术不同或者由垃圾中分拣出的可燃废弃物不同,制成颗粒状衍生燃料的品质不同,这些都可以替代部分甚或替代全部化石燃料在水泥窑炉中应用。我国大力发展“替代燃料”产业,有助于水泥工业消纳更多的“可燃废弃物”,为改善环境尤其是城镇环境和面貌,为我国的节能减排和绿色高质量发展发挥更大的作用。     

Prediction of Flooding in Packed Liquid-Liquid and High-Pressure Extraction Columns Using a Gaussian Process

Reliable prediction of flooding conditions is needed for sizing and operating packed extraction columns. Due to the complex interplay of physicochemical properties, operational parameters and the packing-specific properties, it is challenging to develop accurate semi-empirical or rigorous models with a high validity range. State of the art models may therefore fail to predict flooding accurately. To overcome this problem, a data-driven model based on Gaussian processes is developed to predict flooding for packed liquid-liquid and high-pressure extraction columns. The optimized Gaussian process for the liquid-liquid extraction column results in an average absolute relative error (AARE) of 15.23 %, whereas the algorithm for the high-pressure extraction column results in an AARE of 13.68 %. Both algorithms can predict flooding curves for different packing geometries and chemical systems precisely.     

Hydrogen supply scenarios for a climate neutral energy system in Germany

A climate neutral energy system in Germany will most likely require green hydrogen. Two important factors, that determine whether the hydrogen will be imported or produced locally from renewable energy are still uncertain though - the import price for green hydrogen and the upper limit for photovoltaic installations. To investigate the impact of these two factors, the authors calculate cost optimized climate neutral energy systems while varying the import price from 1.25 €/kg to 5 €/kg with unlimited import volume and the photovoltaic limit from 300 GW to unlimited. In all scenarios, hydrogen plays a significant role. At a medium import price of 3.75 €/kg and photovoltaic limits of 300–900 GW the hydrogen supply is around 1200 to 1300 TWh with import shares varying from 60 to 85%. In most scenarios the electrolysis profile is highly correlated with the photovoltaic power, which leads to full load hours of 1870 h–2770 h.     

Hybrid hydrate processes for CO2/H2 mixture purification: A techno-economic analysis

In this work, hydrate based separation technique was combined with membrane separation and amine-absorption separation technologies to design hybrid processes for separation of CO₂/H₂ mixture. Hybrid processes are designed in the presence of different types of hydrate promoters. The conceptual processes have been developed using Aspen HYSYS. Proposed processes were simulated at different flow rates for the feed stream. A comprehensive cost model was developed for economic analysis of novel processes proposed in this study. Based on the results from process simulation and equipment sizing, the amount of total energy consumption, fixed cost, variable cost, and total cost were calculated per unit weight of captured CO₂ for various flow rates of feed stream and in the presence of different hydrate promoters. Results showed that combination of hydrate formation separation technique with membrane separation technology results in a CO₂ capture process with lowest energy consumption and total cost per unit weight of captured CO₂. As split fraction and heat of hydrate formation increases, the share of hydrate formation section in total energy consumption increases. When TBAB is applied as hydrate promoter, due to its higher hydrate separation efficiency, more amount of CO₂ is captured in hydrate formation section and consequently the total cost for process decreases considerably. Hybrid hydrate-membrane process in the presence of TBAB as hydrate promoter with 29.47 US$/ton CO₂ total cost is the best scheme for hybrid hydrate CO₂ capture process. Total cost for this process is lower than total cost for single MDEA-based absorption process as the mature technology for CO₂ capture.     

基于TRNSYS的茯砖茶生产工艺能源系统节能环保特性研究

茯砖茶发酵、干燥过程中，烘房内温湿度稳定性和能源系统低能耗是保证茯砖茶品质与成本的重要因素。本文采用TRNSYS仿真与实验研究相结合的方法，对咸阳某茯砖茶厂实际使用的空气源热泵系统进行建模，通过研究各季节典型代表月烘房温湿度的波动情况，确定该空气源热泵系统在全年的运行状态是否满足工艺要求，在此基础上，对比了该系统在全年可运行季节代表月与该生产厂房早期使用的燃气锅炉系统的能耗仿真结果，对空气源热泵系统的节能与环保特性进行研究。结果表明：由于夏季送风质量流量过大且室外空气含湿量较高，7月烘房温湿度不满足工艺要求。热泵系统在1、4、10月的总标煤消耗量的平均值是锅炉系统的44.42%，平均CO2、SO2、NOx排放量分别为锅炉系统的34.13%、44.1%、40.60%。在茯砖茶发酵、干燥的过程中，相比于燃气锅炉系统，空气源热泵系统具有更好的节能与环保特性。     

Designing amorphous formulations of polyphenols with naringin by spray-drying for enhanced solubility and permeability

Naringin (NAR), a major flavanone (FVA) glycoside, is a component of food mainly obtained from grapefruit. We used NAR as a food additive to improve the solubility and permeability of hydrophobic polyphenols used as supplements in the food industry. The spray-dried particles (SDPs) of NAR alone show an amorphous state with a glass transition temperature (T_g) at 93.2 °C. SDPs of hydrophobic polyphenols, such as flavone (FVO), quercetin (QCT), naringenin (NRG), and resveratrol (RVT) were prepared by adding varying amounts of NAR. All SDPs of hydrophobic polyphenols with added NAR were in an amorphous state with a single T_g, but SDPs of hydrophobic polyphenols without added NAR showed diffraction peaks derived from each crystal. The SDPs with NAR could keep an amorphous state after storage at a high humidity condition for one month, except for SDPs of RVT/NAR. SDPs with NAR enhanced the solubility of hydrophobic polyphenols, especially NRG solubility, which was enhanced more than 9 times compared to NRG crystal. The enhanced solubility resulted in the increased membrane permeability of NRG. The antioxidant effect of the hydrophobic NRG was also enhanced by the synergetic effect of NAR. The findings demonstrated that NAR could be used as a food additive to enhance the solubility and membrane permeability of hydrophobic polyphenols.     

Charge source and the charging mechanism of the contact electrification of polymer powder

The charge sources, as well as the charging mechanism of the contact electrification (CE) of polymers, are still debatable. Since CE is accompanied by destruction, it is considered that “hard contacting” via ball milling can induce covalent bond scission and produce naked-activated-charge sources. Regarding “soft contacting” via nano-scale sliding, which does not induce covalent bond scission, a frontier-electron, “f-electron,” of the naked-activated-charge source is crucial to electron transfer among the naked-activated-charge sources. Here, we configure naked-activated-charge-source models, naked-activated-mechano-anion, and naked-activated-mechano-cation, which are produced by mechanical energy induced heterogeneous covalent bond scission, as well as naked-activated-mechano-radicals that are produced by homogeneous covalent bond scission. Regarding “soft contacting” among naked-activated-charge sources in a vacuum, f-electron can be transferred from a donor to an acceptor if the energy level of the donor is higher than that of the acceptor. The net amount of the normalized transferred-f-electrons is obtained by adopting settings in which the average energy level of the naked-activated-charge sources (as the donors) is higher than that of the sources employed as acceptors. Thus, the surfaces comprising the donors and acceptors will exhibit positive and negative net surface charges, respectively. We conclude that net surface charges depend on the average energy level of naked-activated-charge sources. Further, we observe that the alignment of polyethylene (PE)-polyvinyl chloride (PVC)-polytetrafluoroethylene (PTFE) to the average energy level is identical to that of the triboelectric series.