Material removal profile prediction and experimental validation for obliquely axial ultrasonic vibration-assisted polishing of K9 optical glass

K9 optical glass is one of the typical components in optical systems. However, because of its poor fracture resistance, it is difficult to polish it with ultra-precision and high-efficiency and without any surface damage simultaneously. The emergence of the obliquely axial ultrasonic vibration-assisted polishing (UVAP) method can solve this problem which encounters in polishing efficiency and shape accuracy. However, due to the unclear material removal profile (MRP) mechanism, obliquely axial UVAP is not widely used in the processing field. This paper introduces the obliquely axial UVAP method in research processes, mainly focusing on the fixed point MRP analysis of the obliquely axial UVAP. Based on Hertz's contact theory, polishing pressure, the length of the semi-long axis (LLA) and the length of the semi-short axis (LSA) of the contact area are calculated under ultrasonic vibration conditions. Meanwhile, the relative linear velocity distribution of the oblique polishing tool in the instantaneous contact area is modeled by mathematical geometry method. A novel model of the MRP distribution for obliquely axial UVAP is proposed following the Preston equation. Subsequently, a series of polishing experiments were carried out to verify this model. The results show that the numerical model has good agreement with the experimental results on MRP, LLA, LSA, material removal depth and material removal rate (MRR). In addition, the material removal capability can be significantly improved by larger ultrasonic amplitude and larger oblique angle. This model not only more clearly elucidates the processing mechanism of obliquely axial UVAP, but also provides theoretical support for the polishing of free-form optical lenses.     

Prediction of Chameleonic Efficiency

Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non-polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405-1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non-polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Ų was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R²=0.92) with an experimental measure of hydrogen bond donor potential, Δlog P_oct-tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility.     

Structural dependence of microwave dielectric properties in ilmenite-type Mg(Ti1-xNbx)O3 solid solutions by Rietveld refinement and Raman spectra

Mg(Ti_1-xNb_x)O₃ (x = 0–0.09) ceramics were prepared by the conventional solid-state reaction method. The phase composition, sintering characteristics, microstructure and dielectric properties of Ti⁴⁺ replacement by Nb⁵⁺ in the formed solid solution Mg(Ti_1-xNb_x)O₃ (x = 0–0.09) ceramics were systematically studied. The structural variations and influence of Nb⁵⁺ doping in Mg(Ti_1-xNb_x)O₃ were also systematically investigated by X-ray diffraction and Raman spectroscopy, respectively. X-ray diffraction and its Rietveld refinement results confirmed that Mg(Ti_1-xNb_x)O₃ (x = 0–0.09) ceramics crystallised into an ilmenite-type with R-3 (148) space group. The replacement of the low valence Ti⁴⁺ by the high valence Nb⁵⁺ can improve the dielectric properties of Mg(Ti_1-xNb_x)O₃ (x = 0–0.09). This paper also studied the different sintering temperatures for Mg(Ti_1-xNb_x)O₃ (x = 0–0.09) ceramics. The obtained results proved that 1350 °C is the best sintering temperature. The permittivity and Q × f initially increased and then decreased mainly due to the effects of porosity caused by the sintering temperature and the doping amount of Nb₂O₅, respectively. Furthermore, the increased Q × f is correlated to the increase in Ti–O bond strength as confirmed by Raman spectroscopy, and the electrons generated by the oxygen vacancies will be compensated by Nb⁵⁺ to a certain extent to suppress Ti⁴⁺ to Ti³⁺, which was confirmed by XPS. The increase in τ_f from ?47 ppm/°C to ?40.1 ppm/°C is due to the increment in cell polarisability. Another reason for the increased τ_f is the reduction in the distortion degree of the [TiO₆] octahedral, which was also confirmed by Raman spectroscopy. Mg(Ti_0.95Nb_0.05)O₃ ceramics sintered at 1350 °C for 2 h possessed excellent microwave dielectric properties of ε_r = 18.12, Q × f = 163618 GHz and τ_f = ?40.1 ppm/°C.     

Salt-assisted solution combustion synthesis of NiFe2O4: Effect of salt type

The effects of three types of salt including NaF, KCl, and NaCl on the properties of NiFe₂O₄ nanoparticles using salt-assisted solution combustion synthesis (SSCS) have been investigated. The synthesized powders were evaluated by SEM, TEM, FTIR, XRD, and VSM analysis. Also, the specific surface area (SSA), as well as size distribution and volume of the porosities of NiFe₂O₄ powders were determined by the BET apparatus. The visual observations showed that the intensity and time of combustion synthesis of nanoparticles have been severely influenced by the type of salt. The highest crystallinity was observed in the synthesized powder using NaCl. The SSA has also been correlated completely to the type of salt. The quantities of SSA was achieved about 91.62, 64.88, and 47.22 m²g^-1 for the powders synthesized by KCl, NaCl, and NaF respectively. Although the magnetic hysteresis loops showed the soft ferromagnetic behavior of the NiFe₂O₄ nanoparticles in all conditions, KCl salt could produce the particles with the least coercivity and remanent magnetization. Based on the present study, the salt type is a key parameter in the SSCS process for the preparation of spinel ferrites. Thermodynamic evaluation also showed that the melting point and heat capacity are important parameters for the proper selection of the salt.     

Review on synthesis of porous TiO2-based catalysts for energy conversion systems

Porous TiO₂-based catalysts have recently received remarkable attention in the field of energy conversion systems, including hydrogen/oxygen evolution reaction, oxygen/nitrogen reduction reaction, and photodegradation of pollutants owing to their unique structure, large surface area, and good chemical stability. In this report, we review existing research on porous TiO₂-based catalysts for energy conversion systems during the past four years. First, the advantages of porous TiO₂-based catalysts are introduced. Next, the synthetic approaches in developing porous TiO₂-based catalysts are summarized. The different types of energy conversion systems based on porous TiO₂-based catalysts are then presented. Finally, the challenges and future perspectives in synthesizing porous TiO₂-based catalysts are discussed.     

致密砂岩油藏能量补充方式评价及优化

针对致密砂岩油藏大规模体积压裂开发后能量补充困难的问题,利用自主设计制作的大型人造三维岩心物理模型和物理模拟实验舱,开展致密砂岩油藏能量补充方式优化研究。实验结果表明:致密砂岩油藏压裂开发过程中,地层能量损耗严重,采取注水或注气的方式可有效进行能量补充;地层中裂缝规模越大,越有利于原油渗流,后续补充能量的传播范围越广,有助于进一步提高原油采收率;从提高驱油效率和扩大波及系数方面优选吞吐渗吸介质,CO₂均优于活性水,CO₂吞吐开发在矿场试验中取得了显著的增油效果,因此,CO₂吞吐作为一种有效的能量补充方式在致密油开发中展现了良好的应用前景。该文分析了致密砂岩储层水平井压裂开发的渗流规律,优选出致密砂岩储层大规模压裂开发后最佳渗吸介质,可为致密砂岩油藏开发设计提供重要的理论依据。     

Dynamic energy and mass balance model for an industrial alkaline water electrolyzer plant process

This paper proposes a parameter adjustable dynamic mass and energy balance simulation model for an industrial alkaline water electrolyzer plant that enables cost and energy efficiency optimization by means of system dimensioning and control. Thus, the simulation model is based on mathematical models and white box coding, and it uses a practicable number of fixed parameters. Zero-dimensional energy and mass balances of each unit operation of a 3 MW, and 16 bar plant process were solved in MATLAB functions connected via a Simulink environment. Verification of the model was accomplished using an analogous industrial plant of the same power and pressure range having the same operational systems design. The electrochemical, mass flow and thermal behavior of the simulation and the industrial plant were compared to ascertain the accuracy of the model and to enable modification and detailed representation of real case scenarios so that the model is suitable for use in future plant optimization studies. The thermal model dynamically predicted the real case with 98.7 % accuracy. Shunt currents were the main contributor to relative low Faraday efficiency of 86 % at nominal load and steady-state operation and heat loss to ambient from stack was only 2.6 % of the total power loss.     

A columnar regular-porous stainless steel reaction support with high superficial area for hydrogen production

To improve hydrogen production (HP) performance of regular-porous structure (RPS), a columnar RPS with small specific surface area and high superficial area is developed. A numerical simulation model of regular-porous stainless steel structure (RPSSS) is established. Subsequently, heat transfer performance, pressure loss, temperature, methanol concentration, H₂ concentration distributions and HP performance of the columnar RPSSS with small specific surface area and high superficial area and the body-centered cubic RPSSS with high specific surface area and small superficial area are compared. Then, temperature, methanol concentration, H₂ concentration distributions and HP performance of axial and longitudinal size-enlarged columnar RPSSSs are studied. The results show that compared to the body-centered cubic RPSSS, the columnar RPSSS has higher methanol conversion, larger H₂ flow rate and higher CO selectivity. Especially in the condition of 300 °C wall temperature and 12 mL/h methanol-water mixture injection rate (MWMIR), the methanol conversion, H₂ flow rate and CO selectivity of the columnar RPSSS are increased by 12.3%, 9.24% and 30%, respectively, indicating that the superficial area of RPSSS is more important for its HP performance compared to its specific surface area. Compared to the longitudinal size-enlarged columnar RPSSS, the axial size-enlarged columnar RPSSS has higher methanol conversion, larger H₂ flow rate and higher CO selectivity. This research work provides a new method for the optimization of hydrogen production reaction support (HPRS).     

InSAR技术在矿区地表变形监测中的应用

以禹州市梁北矿为研究区，利用2018年11月—2020年6月间35景5 m×20 m分辨率Sentinel-1A数据，采用InSAR技术，利用SBAS（短基线集InSAR）雷达干涉测量方法对梁北矿进行地面沉降信息提取解译，并通过实地调查成果认为，采用InSAR技术适合在矿区开展地表变形监测。