Post-combustion of mazut with CO2 capture using aspen hysys

There is a wide range of resources for CO₂ emissions. The net amount of CO₂ emissions in the cement industry due to the consumption of fossil fuels and the chemical processes of cement production under heating raw materials is reported to be in the range of 15–25%; this industry, among all the industries and after the power plants and refineries, is the largest CO₂ gas producer throughout the world. Using CO₂ capture and storage (CCS), it can reduce greenhouse gas emissions in a short time. In this study, the technical feasibility study of recycling CO₂ in Abyek Cement Company, with a cement production capacity of about 12,500 tons per day in two production lines, has been studied as one of the largest cement industries throughout the world. Fuel oil (Mazut) is used as the primary fuel for furnaces in this industry. Affected by combustion, the emissions emitted from the five-stage preheater contain 5/24% vol% of CO₂, 7.6% H₂O, 4.8% vol% of O₂, and 63.1% N₂.     

Scanning Probe Lithography Patterning of Monolayer Semiconductors and Application in Quantifying Edge Recombination

Scanning probe lithography is used to directly pattern monolayer transition metal dichalcogenides (TMDs) without the use of a sacrificial resist. Using an atomic‐force microscope, a negatively biased tip is brought close to the TMD surface. By inducing a water bridge between the tip and the TMD surface, controllable oxidation is achieved at the sub‐100 nm resolution. The oxidized flake is then submerged into water for selective oxide removal which leads to controllable patterning. In addition, by changing the oxidation time, thickness tunable patterning of multilayer TMDs is demonstrated. This resist‐less process results in exposed edges, overcoming a barrier in traditional resist‐based lithography and dry etch where polymeric byproduct layers are often formed at the edges. By patterning monolayers into geometric patterns of different dimensions and measuring the effective carrier lifetime, the non‐radiative recombination velocity due to edge defects is extracted. Using this patterning technique, it is shown that selenide TMDs exhibit lower edge recombination velocity as compared to sulfide TMDs. The utility of scanning probe lithography towards understanding material‐dependent edge recombination losses without significantly normalizing edge behaviors due to heavy defect generation, while allowing for eventual exploration of edge passivation schemes is highlighted, which is of profound interest for nanoscale electronics and optoelectronics.     

Ab initio calculations of the NO2 fission for CL-20 conformers

NO₂ fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO₂ fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO₂ fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy.     

Hierarchical Coherent Phonons in a Superatomic Semiconductor

The coupling of phonons to electrons and other phonons plays a defining role in material properties, such as charge and energy transport, light emission, and superconductivity. In atomic solids, phonons are delocalized over the 3D lattice, in contrast to molecular solids where localized vibrations dominate. Here, a hierarchical semiconductor that expands the phonon space by combining localized 0D modes with delocalized 2D and 3D modes is described. This material consists of superatomic building blocks (Re₆Se₈) covalently linked into 2D sheets that are stacked into a layered van der Waals lattice. Using transient reflectance spectroscopy, three types of coherent phonons are identified: localized 0D breathing modes of isolated superatom, 2D synchronized twisting of superatoms in layers, and 3D acoustic interlayer deformation. These phonons are coupled to the electronic degrees of freedom to varying extents. The presence of local phonon modes in an extended crystal opens the door to controlling material properties from hierarchical phonon engineering.     

Optimal interval type-2 fuzzy fractional order super twisting algorithm: A second order sliding mode controller for fully-actuated and under-actuated nonlinear systems

In this paper, a novel interval type-2 fuzzy fractional order super twisting algorithm (IT2FFOSTA) which is essentially a second order sliding mode controller is presented. The proposed IT2FFOSTA enhances fractional order super twisting algorithm (FOSTA) by taking advantage of an interval type-2 fuzzy fractional order sliding surface (IT2FFOSS) for some classes of fully-actuated and under-actuated nonlinear systems in presence of uncertainty. The FOSTA significantly reduces the amount of chattering and the IT2FFOSS results in decreasing the tracking error, control effort, and chattering level. In order to control under-actuated systems, a hierarchical sliding surface is employed. The multi-tracker optimization algorithm is utilized to adjust the controller’s parameters; this leads to an optimal performance for the IT2FFOSTA. To examine the performance of the IT2FFOSTA, some simulation and experimental tests on three examples of different classes of fully-actuated and under-actuated systems, including ball and plate, inverted pendulum, and ball and beam systems are carried out. The simulation and experimental results demonstrate the superiority of the IT2FFOSTA in reducing the amount of chattering, tracking error, and control effort compared to those of the other control methods.     

基于深度学习的文本自动摘要方案

针对自然语言处理（NLP）生成式自动摘要领域的语义理解不充分、摘要语句不通顺和摘要准确度不够高的问题，提出了一种新的生成式自动摘要解决方案，包括一种改进的词向量生成技术和一个生成式自动摘要模型。改进的词向量生成技术以Skip-Gram方法生成的词向量为基础，结合摘要的特点，引入词性、词频和逆文本频率三个词特征，有效地提高了词语的理解；而提出的Bi-MulRnn+生成式自动摘要模型以序列映射（seq2seq）与自编码器结构为基础，引入注意力机制、门控循环单元（GRU）结构、双向循环神经网络（BiRnn）、多层循环神经网络（MultiRnn）和集束搜索，提高了生成式摘要准确性与语句流畅度。基于大规模中文短文本摘要（LCSTS）数据集的实验结果表明，该方案能够有效地解决短文本生成式摘要问题，并在Rouge标准评价体系中表现良好，提高了摘要准确性与语句流畅度。     

Surface modification of TiO2 particles with 12-hydroxy stearic acid and the effect of particle size on the mechanical and thermal properties of thermoplastic polyurethane urea elastomers

The efficient surface modification of titanium dioxide (TiO₂) particles with different sizes was first carried out with “water only method” (Appl. Surf. Sci. 2018, 447, 664–672) developed in our group using 12-hydroxy stearic acid (12-HSA) as the modifier. The 12-HSA-modified TiO₂ particles with different sizes were then used to explore their effect on the mechanical and thermal properties of a thermoplastic polyurethane urea (TPUU) elastomer with superior mechanical and thermal properties produced newly in our lab using nonsymmetric alicyclic diisocyanate and diamine. Orthogonal experimental results showed that the order of impact of each factor on the modification efficiency of TiO₂ particles was: Temperature > time > modifier content. It was found that, in the nanometer (≤100 nm) range, smaller particles were more helpful to enhance the tensile strength of the TPUU elastomer, while larger ones to increase more significantly the elongation at break. Besides, the TiO₂/polyurethane urea nanocomposites exhibited much better thermomechanical performance than the pristine TPUU elastomer, and the thermomechanical performance of the nanocomposites increased with decreasing particle size.     

Structural Aspects of P2-Type Na0.67Mn0.6Ni0.2Li0.2O2 (MNL) Stabilization by Lithium Defects as a Cathode Material for Sodium-Ion Batteries

A known strategy for improving the properties of layered oxide electrodes in sodium-ion batteries is the partial substitution of transition metals by Li. Herein, the role of Li as a defect and its impact on sodium storage in P2-Na_0.67Mn_0.6Ni_0.2Li_0.2O₂ is discussed. In tandem with electrochemical studies, the electronic and atomic structure are studied using solid-state NMR, operando XRD, and density functional theory (DFT). For the as-synthesized material, Li is located in comparable amounts within the sodium and the transition metal oxide (TMO) layers. Desodiation leads to a redistribution of Li ions within the crystal lattice. During charging, Li ions from the Na layer first migrate to the TMO layer before reversing their course at low Na contents. There is little change in the lattice parameters during charging/discharging, indicating stabilization of the P2 structure. This leads to a solid-solution type storage mechanism (sloping voltage profile) and hence excellent cycle life with a capacity of 110 mAh g^-1 after 100 cycles. In contrast, the Li-free compositions Na_0.67Mn_0.6Ni_0.4O₂ and Na_0.67Mn_0.8Ni_0.2O₂ show phase transitions and a stair-case voltage profile. The capacity is found to originate from mainly Ni³⁺/Ni⁴⁺ and O^2-/O^2-δ redox processes by DFT, although a small contribution from Mn⁴⁺/Mn⁵⁺ to the capacity cannot be excluded.