Computational Analysis of the Solid-State and Solvation Properties of Carbamazepine in Relation to its Polymorphism

The solvent-dependent polymorphism of the active pharmaceutical ingredient (API) carbamazepine is interpreted from calculations of the solid-state and API-solvent intermolecular interactions. These simulations suggested that apolar solute-solute interactions could be disrupted by apolar solvents. In contrast, the polar solute-solute interactions were found to be easily disrupted by polar and protic solvents. This is consistent with experimental observations that the crystallization of the metastable form II is more dominant in apolar solvents. The Mercury program remains the gold standard in terms of usability; however, further expansion into more complex simulation techniques could make this package of even greater use in pharmaceutical manufacturing workflows.     

Personality expression and recognition in Chinese language usage

User Modeling and User-Adapted Interaction - Personality plays a pivotal role at work. Many scholars have investigated the association between personality and language usage habits in the English...     

Dynamics and workspace analysis of a multi-robot collaborative towing system with floating base

Journal of Mechanical Science and Technology - A multi-robot collaborative towing system fixed on floating base for high load marine work was established in this paper, and its dynamics and...     

攀西钒钛磁铁矿尾矿制备储水泡沫陶瓷的研究

以攀西钒钛磁铁尾矿和废玻璃为主要原料通过高温烧结法制备储水泡沫陶瓷，研究原料配比和发泡剂（SiC）添加量对材料性能的影响。结果表明:随着钒钛磁铁矿尾矿含量的增加，材料的体积密度及抗压强度逐渐增大，平均气孔孔径逐渐减小；当尾矿添加量为50 wt%，材料的体积吸水率出现极值。当SiC添加量为0.3 wt%，材料内部气孔分布均匀，平均孔径约为2.93 mm。最终以50.0 wt%的钒钛磁铁矿尾矿和50.0 wt%的废玻璃为原料，外加3.0 wt%的石英，0.3 wt%的SiC，3.0 wt%的Na3PO4，在1040℃下制得性能最优的储水泡沫陶瓷，材料的体积密度为0.26 g/cm-3、体积吸水率为56.5%和抗压强度为0.68 MPa。采用SEM、XRD等检测手段研究材料的微观形貌及物相组成，结果表明储水泡沫陶瓷内部由三维立体结构组成，有利于储存水分；材料主要物相包括硅灰石、长石、透辉石和钛铁矿。      

Enhanced piezoelectric strain of BiFeO3–Ba(Zr0.02Ti0.98)O3 lead-free ceramics near the phase boundary

The xBiFeO₃-(1-x)Ba(Zr_0.02Ti_0.98)O₃ + 1.0 mol% MnO₂ (xBF-BZT) lead-free piezoelectric ceramics were prepared by conventional solid-state reaction method. The structure, dielectric, and piezoelectric properties were studied. X-ray diffraction (XRD) analysis showed that xBF-BZT ceramics exhibited pure perovskite structure with the coexistence of tetragonal and rhombohedral phases (0.66 ≤ x ≤ 0.74). The Curie temperature T_c, the dielectric constant ε_r (1 kHz), dielectric loss tanδ (1 kHz), piezoelectric constant d₃₃, coercive field E_c (80 kV/cm), and remnant polarization P_r (80 kV/cm) of 0.7BF-0.3BZT-Mn ceramics were 491°C, 633, 0.044, 165 pC/N, 35.6 kV/cm, and 22.6 μC/cm², respectively. The unipolar strain of 0.7BF-0.3BZT reached up to 0.20% under the electric field of 60 kV/cm, which is larger than that (0.15%) of BiFeO₃–BaTiO₃ ceramics. These results indicated that the xBF-BZT ceramics were promising candidates for high-temperature piezoelectric materials.     

高地压严重突出区域下向穿层钻孔预抽消突技术

利用工作面高抽巷施工掩护顺槽掘进工作面下向穿层条带预抽钻孔,通过对钻场底板深、浅孔注浆封堵围岩裂隙解决了孔内返水不畅难题;采取了"两堵一注"封孔方式确保封孔严密不漏气;孔内全程下吹水管,实现了单孔、分组、定时吹水工作目标,提高了下向消突钻孔抽采效果,形成了一套高效、快速的下向穿层钻孔消突管理模式,实现了高地压严重突出区域煤层高效消突以及技术经济一体化目标,安全经济效益显著。     

人工颅骨用复合材料中微量甲基丙烯酸甲酯的气相色谱法测定

采用氢气焰离子化检测器(FID),以正丁醇为外标物,PEG-20M为固定相,甲醇作为溶剂,气相色谱法测定复合材料人工颅骨中微量MMA的含量。其相对标准偏差<0.022,平均回收率(n=4)为98.0％～99.1％。此方法操作简便,用于实际样品分析可得到满意的结果。     

氰酸钾合成研究进展

综述了氰酸钾的合成方法,并对各种方法进行了评价,其中液固相反应法具有原料易得,操作简便,产物纯度较高、易与溶剂分离、经济性好等特点,适用于工业化生产。