Monitoring film coalescence from aqueous polymeric dispersions using atomic force microscopy: Surface topographic and nano-adhesion studies

The aim of the investigation was to develop the use of topographic and nano-adhesion atomic force microscopy(AFM) studies as a means of monitoring the coalescence of latex particles within films produced from a pharmaceutically relevant aqueous dispersion(Eudragit~?NE30 D). Films were prepared via spin coating and analysed using AFM, initially via tapping mode for topographic assessment followed by force-distance measurements which allowed assessment of site-specific adhesion. The results showed that colloidal particles were clearly observed topographically in freshly prepared samples, with coalescence detected on curing via the disappearance of discernible surface features and a decrease in roughness indices. The effects of temperature and humidity on film curing were also studied, with the former having the most pronounced effect. AFM force measurements showed that the variation in adhesive force reduced with increasing curing time, suggesting a novel method of quantifying the rate of film formation upon curing. It was concluded that the AFM methods outlined in this study may be used as a means of qualitatively and quantitatively monitoring the curing of pharmaceutical films as a function of time and other variables, thereby facilitating rational design of curing protocols.

Atomic Force Microscopy Measurement in the Lignosulfonate/Inorganic Silica System:From Dispersion Mechanism Study to Product Design

Designing and preparing high-performance lignin-based dispersants are crucial steps in realizing the value-added utilization of lignin on an industrial scale.Such process depends heavily on an understanding of the dispersion mechanism of lignin-based dispersants.Here,atomic force microscopy(AFM)is employed to quantitatively investigate the dispersion mechanism of a lignosulfonate/silica(LS/SiO_(2))system under different pH conditions.The results show that the repulsive force between SiO_(2)particles in LS solution is stronger than it is in water,resulting in better dispersion stability.The Derjaguin–Landau–Verwey–Overbeek(DLVO)formula as well as the DLVO formula combined with steric repulsion is utilized for the fitting of the AFM force/distance(F/D)curves between the SiO_(2)probe and substrate in water and in LS solution.Based on these fitting results,electrostatic and steric repulsive forces are respectively calculated,yielding further evidence that LS provides strong steric repulsion between SiO_(2)particles.Further studies indicate that the adsorbance of LS on SiO_(2)(Q),the normalized interaction constant(A),and the characteristic length(L)are the three critical factors affecting steric repulsion in the LS/SiO_(2)system.Based on the above conclusions,a novel quaternized grafted-sulfonation lignin(QAGSL)dispersant is designed and prepared.The QAGSL dispersant exhibits good dispersing performance for SiO_(2)and real cement particles.This work provides a fundamental and quantitative understanding of the dispersion mechanism in the LS/inorganic particle system and provides important guidance for the development of high-performance lignin-based dispersants.

Delta distribution of electronegative plasma predicted by reformed“spring oscillator”dynamic equation with dispersing force

In our relevant paper[Zhao S X(2021)Chin.Phys.B 30055201],a delta distribution of negative ions is given by fluid simulation and preliminarily explained by decomposed anions transport equation.In the present work,first,the intrinsic connection between the electropositive plasma transport equation and spring oscillator dynamic equation is established.Inspired by this similarity,reformed“spring oscillator”equation with dispersing instead of restoring force that gives quasi-delta solution is devised according to the math embodied in the anion equation,which is of potential significance to the disciplines of atomic physics and astronomy as well.For solving the“diffusion confusion”the physics that determines the delta profile within the continuity equation is explored on the basis that recombination loss source term plays the role of drift flux,which is applicable for fluid model of low temperature plasma,but not the ordinary fluid dynamics.Besides,the math and physics revealed in this work predict that the ratio of recombination or attachment(for electrons)frequency versus the species diffusion coefficient is a very important parameter in determining the delta distribution,as it acts as the acceleration of object,according to the reformed oscillator equation.With this theory,the analogous delta profile of electrons density in the famous drift and ambi-polar diffusion heating mechanism of electronegative capacitively coupled plasma is interpreted.

Analytical Studies of the Cloud Droplet Spectral Dispersion Influence on the First Indirect Aerosol Effect

Atmospheric aerosols （acting as cloud condensation nuclei） can enhance the cloud droplet number concentration and reduce the cloud droplet size, and in turn affect the cloud optical depth, as well as the cloud albedo, and thereby exert a radiative influence on climate （the first indirect aerosol effect）. In this paper, based on various relationships between cloud droplet spectral dispersion （c） and cloud droplet number concentration （Nc）, we analytically derive the corresponding expressions of the cloud radiative forcing induced by changes in the cloud droplet number concentration. Further quantitative evaluation indicates that the cloud radiative forcing induced by aerosols for the different ^-Nc relationships varies from -29.1% to 25.2%, compared to the case without considering spectral dispersion （e = 0）. Our results suggest that an accurate description of e - Nc relationships helps to reduce the uncertainty of the first indirect aerosol effect and advances our scientific understanding of aerosol-cloud-radiation interactions.

Dispersion of Co-poly Carboxylate Superplasticizer Containing Poiyether Side Chain

Free radical co-polymerization was employed to synthesize co-poly carboxylate (PC) su-perplasticizers with different amount of carboxyl and methyl polyethylene glycol (MPEG) side chain. Dispersion ability and retention of PC were compared with one another. The results show that increase of side chain is advantageous to dispersion, but it decreases when amount of MPEG is beyond a certain value which is different with the proportion of carboxyl. If the amount of carboxyl increases, the influence of side chain in copolymer on dispersion diminishes. Polyether side chain is advantageous to retention. And the author explained the mechanism of PC using the theory of steric repulsive force.

Development and evaluation of lafutidine solid dispersion via hot melt extrusion:Investigating drug-polymer miscibility with advanced characterisation

In current study,immediate release solid dispersion(SD)formulation of antiulcer drug lafutidine(LAFT)was developed using hot melt extrusion(HME)technique.Amphiphilic Soluplus
used as a primary solubilizing agent,with different concentrations of selected surfactants like PEG 400,Lutrol F127(LF127),Lutrol F68(LF68)were used to investigate their influence on formulations processing via HME.Prepared amorphous glassy solid dispersion was found to be thermodynamically and physicochemically stable.On the contrary,traces of crystalline LAFT not observed in the extrudates according to differential scanning calorimetry(DSC),X-ray diffraction(XRD),scanning electron microscopy(SEM)and Raman spectroscopy.Raman micro spectrometry had the lowest detection limit of LAFT crystals compared with XRD and DSC.Atomic Force microscopy(AFM)studies revealed drugpolymer molecular miscibility and surface interaction at micro level.1HeCOSY NMR spectroscopy confirmed miscibility and interaction between LAFT and Soluplus
,with chemical shift drifting and line broadening.MD simulation studies using computational modelling showed intermolecular interaction between molecules.Dissolution rate and solubility of LAFT was enhanced remarkably in developed SD systems.Optimized ratio of polymer and surfactants played crucial role in dissolution rate enhancement of LAFT SD.The obtained results suggested that developed LAFT has promising potential for oral delivery and might be an efficacious approach for enhancing the therapeutic potential of LAFT.

Stochastic modeling of subgrid-scale effects on particle motion in forced isotropic turbulence

The subgrid-scale effects on particle motion were investigated in forced isotropic turbulence by DNS and priorLES methods.In the DNS field,the importance of Kolmogorov scaling to preferential accumulation was validated by comparing the radial distribution functions under various particle Stokes numbers.The prior-LES fields were generated by filtering the DNS data.The subgrid-scale Stokes number(StSGS)is a useful tool for determining the effects of subgrid-scale eddies on particle motion.The subgrid-scale eddies tend to accumulate particles with StSGSb 1 and disperse particles with 1 b StSGSb 10.For particles with StSGS?1,the effects of subgrid-scale eddies on particle motion can be neglected.In order to restore the subgrid-scale effects,the Langevin-type stochastic model with optimized parameters was adopted in this study.This model is effective for the particles with StSGS N 1 while has an adverse impact on the particles with StSGSb 1.The results show that the Langevin-type stochastic model tends to smooth the particle distribution in the isotropic turbulence.

Phonon dispersion relations of crystalline solids based on LAMMPS package

The phonon dispersion relations of crystalline solids play an important role in determining the mechanical and thermal properties of materials.The phonon dispersion relation,as well as the vibrational density of states,is also often used as an indicator of variation of lattice thermal conductivity with the external stress,defects,etc.In this study,a simple and fast tool is proposed to acquire the phonon dispersion relation of crystalline solids based on the LAMMPS package.The theoretical details for the calculation of the phonon dispersion relation are derived mathematically and the computational flow chart is present.The tool is first used to calculate the phonon dispersion relation of graphene with two atoms in the unit cell.Then,the phonon dispersions corresponding to several potentials or force fields,which are commonly used in the LAMMPS package to modeling the graphene,are obtained to compare with that from the DFT calculation.They are further extended to evaluate the accuracy of the used potentials before the molecular dynamics simulation.The tool is also used to calculate the phonon dispersion relation of superlattice structures that contains more than one hundred of atoms in the unit cell,which predicts the phonon band gaps along the cross-plane direction.Since the phonon dispersion relation plays an important role in the physical properties of condensed matter,the proposed tool for the calculation of the phonon dispersion relation is of great significance for predicting and explaining the mechanical and thermal properties of crystalline solids.

A Simple Approach to Compute Interatomic Force Constant for Mono and Diatomic Semiconductors

In this paper, a mathematical relation was found between interatomic Hooke’s force constant and both the bulk modulus and interatomic distance in solid crystals, considering that the forces which have effect on an atom are only those resulted from the neighboring atoms, and the forces are subject to Hooke’s law as the deflections of atoms from their equilibrium positions are very small. This work has been applied on some solid semiconducting crystals of diatomic primitive cell, including crystals of mono-atomic primitive cell automatically, by using linear statistical fitting with computer programming and, then, using mathematical analysis, proceeding from the vibrational dispersion relation of solid linear lattice, these two methods have been used in the process in order to support each other and for the result to be satisfying and reasonable. This is a contribution to the process of using computer programming in physics to facilitate mathematical analyses and obtain the required relations and functions by designing and developing appropriate computer programs in line with the macro and micro natures of materials. The importance of this is in enhancing our understanding of the interatomic actions in cells and of the crystal structure of materials in general and semiconductors in particular, as it is a step of the initial steps to facilitate the process of calculating energies and extracting mathematical relations between correlation energy and temperature as well as between sub-fusion and fusion energies with temperature.

金属掺杂的磷烯对亚甲基蓝的吸附机理:DFT-D研究

随着工业的发展,染料废水对人类和环境的危害愈加显著,其中偶氮类的亚甲基蓝这种染料废水不仅色度大,而且难以降解.因此设计一种高效且灵敏的吸附剂来去除亚甲基蓝对人类和环境的危害是亟须解决的问题.本研究利用基于色散力校正的密度泛函理论(DFT-D)的第一性原理方法探索了本征及掺杂磷烯吸附剂对亚甲基蓝的吸附机理,并详细考察了本征及掺杂Al,Ca,Ti和Fe金属原子后的磷烯对亚甲基蓝吸附的影响.研究结果表明亚甲基蓝初始构型会影响磷烯对其吸附,当亚甲基蓝平躺于磷烯表面时有较大的吸附,且金属原子掺杂显著地影响其对亚甲基蓝的吸附能力,掺杂金属原子均增大了磷烯对亚甲基蓝的吸附.其中吸附能力是Fe掺杂磷烯>Ca掺杂磷烯>Ti掺杂磷烯>Al掺杂磷烯.研究结论对于亚甲基蓝的处理带来了新的指导方向,有望为相关染料废水的检测和去除提供有意义的理论参考.

Probing the effect of Young's modulus on the plugging performance of micro-nano-scale dispersed particle gels

The effect of mechanical strength of the dispersed particle gel(DPG)on its macro plugging performance is significant,however,little study has been reported.In this paper,DPG particles with different mechanical strengths were obtained by mechanical shearing of bulk gels prepared with different formula.Young’s moduli of DPG particles on the micro and nano scales were measured by atomic force microscope for the first time.The mapping relationship among the formula of bulk gel,the Young’s moduli of the DPG particles and the final plugging performance were established.The results showed that when the Young’s moduli of the DPG particles increased from 82 to 328 Pa,the plugging rate increased significantly from 91.46%to 97.10%due to the distinctly enhanced stacking density and strength at this range.While when the Young’s moduli of the DPG particles surpassed 328 Pa,the further increase of plugging rate with the Young’s moduli of the DPG particles became insignificant.These results indicated that the improvement of plugging rate was more efficient by adjusting the Young’s moduli of the DPG particles within certain ranges,providing guidance for improving the macroscopic application properties of DPG systems in reservoir heterogeneity regulation.

考虑应力梯度的缺口疲劳分散性研究

针对缺口部位的微观结构及尺寸导致的疲劳分散差异较大的问题,为准确预测缺口件的疲劳分散性,以矩形截面缺口件为例,采用宏观Chaboche循环塑性本构模型与细观晶体循环塑性本构模型相结合的有限元子模型方法,并考虑缺口效应,提出了以应力梯度影响因子、等效应力与纵向应变为变量的统计标准差作为疲劳指示因子FIP_(notch)。在不同位移载荷、位移载荷比和缺口直径大小情况下将疲劳指示因子FIP_(notch)与经典的Fatemi-Socie疲劳指示因子FIP FS进行疲劳分散性的比较与分析。结果表明:疲劳指示因子FIP_(notch)均能很好地预测不同位移载荷、位移载荷比和缺口直径下的缺口疲劳分散性,且比经典的FIP FS方法有更高的精度与适用性。

原油-CO_(2)相互作用机理分子动力学模拟研究

CO_(2)的众多驱油机理已经被广泛认同,但受油藏因素影响,不同油藏条件下CO_(2)驱的效果差异较大。因此,需要进一步深化研究CO_(2)与原油的微观相互作用机理,明确不同油藏条件下CO_(2)的驱油方式,最大限度挖潜CO_(2)驱的潜力。利用分子动力学模拟方法研究了组分、温度、压力对油滴-CO_(2)相互作用的影响。求取动力学参数,量化表征油滴-CO_(2)间的相互作用,厘清了不同条件下二者的微观相互作用规律。模拟结果显示,色散力是主导CO_(2)-烷烃分子相互作用的主要作用能,二者相互作用主要包含两方面:一是CO_(2)分子克服烷烃分子间的位阻作用向油滴内部溶解扩散,二是CO_(2)分子对油滴外层分子的萃取吸引作用。随着烷烃分子链长减小、温度降低和压力增加,油滴溶解度参数和CO_(2)配位数增加,油滴外层分子的弯曲度减小,二者的相互作用增强。研究结果认为,在温度较低、压力较高的轻质和中轻质油藏中,应尽可能地实现CO_(2)混相驱和近混相驱,在温度较高、压力较低的中质和重质油藏中,应充分发挥CO_(2)非混相驱的溶解降黏、膨胀原油体积和补充能量的优势。研究结果能够为室内研究和现场实施CO_(2)驱油提供理论指导。

墩高对应用LNR支座简支梁桥抗震性能的影响

LNR水平力分散型橡胶支座以低剪切刚度适应大剪切位移,实现桥梁下构水平力分散,协调墩台抵抗水平力。为研究LNR支座在不同墩高桥梁上的抗震性能,以板式橡胶支座为参照,以标准跨径为40 m的多跨公路简支梁桥为对象,在不同墩高范围对采用2种支座的桥梁进行动力分析,并对比结构动力响应,评估LNR支座的抗震性能。结果表明,相对于板式橡胶支座,LNR支座能延长结构的自振周期,降低桥梁地震内力。随着墩高增加,LNR支座在纵向地震下的优势显著下降,在横向地震下的优势下降不明显,采用LNR支座的桥梁内力能力需求比也逐渐下降。综合考虑,高墩桥梁采用LNR支座的优势并不明显。

氨基磺酸系陶瓷分散剂在黑泥/水界面的吸附分散作用

氨基磺酸系陶瓷分散剂(ASP)与木质素磺酸钙(木钙)、萘磺酸盐甲醛缩合物(fdn)及磺化丙酮甲醛缩合物(saf)相比具有明显分散降黏效果。测定了四种分散剂在黑泥表面的吸附等温线及其对黑泥颗粒表面Zeta电位的影响,结果表明ASP既有较大的饱和吸附量,又能提高黑泥颗粒的Zeta电位,通过静电排斥和空间位阻协同作用表现出优良的分散性能。通过加入脲、氯化钠及柠檬酸钠研究了ASP在黑泥/水界面的吸附作用力,发现吸附过程的主导作用力是络合作用,同时氢键吸附也是重要的吸附作用力。

纳米SiO_2水溶液制备、改性及应用性能研究

采用硅单质法制备了低成本高固含量的纳米 Si O2 水溶液 ,并进行表面处理。结果表明 :两亲性和核 -壳型纳米Si O2 在水中分散稳定 ,Si O2 /聚丙烯酸酯涂膜的附着力、柔韧性和耐冲击性提高 ;纳米 Si O2 用量增大 ,对乳液的成膜温度影响较小 ,但涂膜硬度增大 ,膜柔韧性好 ,回粘温度和热分解温度升高 ,具有更好的防尘性和耐热性。

磁处理原油防蜡降黏的机理

分析了磁场对分子中电子运动状态的影响,认为磁场可以影响分子的极化率和分子间的色散作用;均匀磁场可以使抗磁性分子间的色散作用增强.据此结论,结合色散力的性质,从理论上给出了磁处理原油防蜡、降黏的机理,即磁处理原油产生防蜡降黏效果的根本原因在于磁场对蜡晶分子间的色散作用的影响.

转管炮旋转发射惯性对弹丸起始扰动的影响分析(英文)

研究转管炮发射时身管旋转所导致的惯性力、科氏力对弹丸起始扰动的影响,建立了同时考虑弹丸旋转惯性力和科氏力的半约束期内起始模型,估算了身管旋转发射时运动弹丸的偏角变化规律,结果表明旋转离心力和身管组半锥夹角导致的科氏力对弹丸起始扰动的影响,弹丸偏角随身管转速的增加而线性增加,特别是高转速时,由切向速度所引起的弹丸的偏角更大.这为转管武器的射击精度研究提供了参考。

基于社会力的应急疏散仿真模型应用研究

随着地铁站等大规模半封闭式交通枢纽的增加,其应急疏散问题受到了越来越多的关注。以社会力行人疏散仿真模型为基础,将毒气扩散模型添加到仿真环境中,改进原有的社会力模型,建立符合地铁站发生毒气恐怖事件时的行人应急疏散模型,称其为整合社会力模型。该模型在原有社会力模型中添加了行人之间的凝聚力和紧急情况时反映人心理的紧张因子,并与毒气扩散仿真环境进行整合,能较为真实的反应出突发事件发生前后人群疏散的整个过程。最后利用提出的新仿真模型模拟出地铁站突发毒气恐怖事件的背景下对乘客进行疏散的过程,指出及时发现毒气源、有效引导疏散的重要性。

重介质旋流器磨损机理分析及应用

从磨损机理出发,分析了旋流场内分散相颗粒的受力情况以及各种参数对磨损的影响,提出结构优化设计方法,以期减少旋流器的磨损。