Comprehensive analysis on anomalous phenomenon of ethanol-soluble poly(vinyl butyral) membrane for ethanol recovery via pervaporation

Poly(vinyl butyral) (PVB) is selected as a promising ethanol-permselective membrane based on the solubility parameter theory; however, it exhibits anomalous water perm-selectivity in practical pervaporation (PV) process. Comprehensive analysis based on experimental and theoretical methods were carried out to explore the inherent mechanism of the anomalous performance. Firstly, sum frequency generation vibrational spectra and contact angle were developed to quantify the surface reconstruction of membrane in air and ethanol, which indicated that hydrophilic hydroxyl tended to expose on membrane surface with ethanol thus improving the membrane affinity to water. Meanwhile, swelling behaviors proved more water would accumulate in the ethanol swollen membrane. Furthermore, theoretical analysis in terms of sorption and diffusion process, based on the UNIFAC-FV model and Fujita free-volume theory, confirmed the mechanism of anomalous phenomenon of PVB membrane. The comprehensive investigation was expected to provide insights into the basic separation mechanism of PV process.     

Simulation of temperature and reaction time prediction of the torrefaction process: case of hard-wood biomass

Direct utilisation of biomass for energy application is less profound due to the problems of low calorific value, high water content, and low grindability of biomass. For this reason, pre-heating treatment, sometimes called torrefaction, is necessary to improve the physical properties of biomass similar to ‘coal-like’ material. Unfortunately, only few comprehensive but simple theoretical models focused on hard-wood biomass were available to describe the torrefaction process. In this discussion, a simple proposed torrefaction model was developed and reported. The model has ability to estimate the yield of product mass and energy after the torrefaction process and determine the optimum conditions.     

某铁矿隔水护顶矿柱厚度计算及安全影响预测

科学合理地确定矿山隔水护顶矿柱安全厚度是矿山安全生产的前提条件，为保障某铁矿地表民房、道路等建（构）筑物安全，防止矿山开采过程中产生的导水裂隙带贯通第四系含水层，采用荷载传递交汇线法、K.B.鲁别涅依他估算法和冒落带、导水裂隙带高度估算法3种理论分析方法对隔水护顶矿柱厚度进行计算，并利用数值模拟手段对留设隔水护顶矿柱后的开采过程安全影响进行了分析，对理论计算结果进行了验证。3种理论计算方法得出的隔水护顶矿柱厚度分别为14.3～17.3 m、17.5～31.4 m和41.8～57.4 m，推荐隔水护顶矿柱留设厚度为60 m。通过数值模拟分析得出，在留设60 m厚的隔水护顶矿柱的基础上，开采区域和隔水护顶矿柱位置产生的最大拉应力约0.47 MPa，矿山开采不会对隔水护顶矿柱造成破坏；地表产生的最大水平位移约5.8 cm，最大垂直位移约26.5 cm，最大倾斜为1.70 mm/m，最大曲率为0.20 mm/m2，最大水平变形值为0.70 mm/m，满足相关规范要求，预测矿山开采不会造成地表建（构）筑物破坏。     

综采工作面巷道内瓦斯分布规律研究

为了研究综采工作面巷道内瓦斯运移规律，摸清瓦斯流动的状态，采用理论分析、数值模拟和现场试验相结合的方法，理论分析得到了工作面风流特性及瓦斯运移规律，数值模拟得到了瓦斯异常释放后工作面瓦斯浓度分布变化情况及工作面正常工作瓦斯浓度分布，然后进行现场试验，试验结果和数值模拟结果相似。研究为工作面瓦斯治理提供了技术支持。     

Excited States and Photodebromination of Selected Polybrominated Diphenyl Ethers: Computational and Quantitative Structure—Property Relationship Studies

This paper presents a density functional theory (DFT)/time-dependent DFT (TD-DFT) study on the lowest lying singlet and triplet excited states of 20 selected polybrominateddiphenyl ether (PBDE) congeners, with the solvation effect included in the calculations using the polarized continuum model (PCM). The results obtained showed that for most of the brominated diphenyl ether (BDE) congeners, the lowest singlet excited state was initiated by the electron transfer from HOMO to LUMO, involving a π–σ* excitation. In triplet excited states, structure of the BDE congeners differed notably from that of the BDE ground states with one of the specific C–Br bonds bending off the aromatic plane. In addition, the partial least squares regression (PLSR), principal component analysis-multiple linear regression analysis (PCA-MLR), and back propagation artificial neural network (BP-ANN) approaches were employed for a quantitative structure-property relationship (QSPR) study. Based on the previously reported kinetic data for the debromination by ultraviolet (UV) and sunlight, obtained QSPR models exhibited a reasonable evaluation of the photodebromination reactivity even when the BDE congeners had same degree of bromination, albeit different patterns of bromination.     

金属薄板平面铣削形变分析与控制

由于初始残余应力的作用,金属薄板平面加工普遍存在加工难度大,加工变形严重等问题,难以保证板面的加工质量。以不锈钢薄板的平面加工为基础,通过理论分析、仿真模拟和实验验证的方式,对金属薄板的加工形变进行较为系统的研究,分析了金属薄板加工形变的关键因素,总结了金属薄板残余应力分布形式以及有效避免加工形变的工艺方法,为类似金属板材加工提供理论参考依据。     

打印层厚度对FDM薄板固有特性的影响

针对不同打印层厚度对熔融沉积成型(fused deposition modeling,简称FDM)薄板固有特性的影响规律及相应的机理进行了研究。首先,以悬臂边界条件下的FDM薄板为研究对象,创建了固有特性理论模型;其次,完成了薄板样件的制备,同时搭建了样件的动力学测试系统,实验研究了样件的固有特性参数;最后,对比分析理论与实验结果,以验证理论模型的正确性。研究结果表明,所建模型可以准确预测FDM薄板结构的固有特征参数;打印层越厚,样件的固有频率越高,但其模态振型不会随着打印层厚度的变化而变化。该研究为提高FDM产品动力学性能提供了理论基础和技术支持。     

断裂带老顶的判别准则及在浅埋煤层中的应用

从20世纪50年代的铰接岩块假说到砌体梁理论的建立,都把断裂带老顶结构作为主要研究对象,在讨论有关断裂带老顶结构假说和理论的基础上,根据老顶初次断裂拱式平衡和周期断裂砌体梁平衡条件,考虑到岩块间铰点挤压接触面的实际高度,推导出了断裂带老顶判别的理论公式,即老顶分层厚度大于其下自由空间高度1．5倍时该分层进入断裂带,通过与实际观测值及所建立的经验公式比较,证明理论公式的计算值与实际一致,从而使长期悬而未解的断裂带老顶层位问题在理论上得以解决,同时也进一步说明了浅埋煤层组合关键层覆岩全厚切落的必然性。     

民用低压电路中性线断开事故的分析

从理论与实验两个方面,对民用低压配电系统中性线断线事故进行了分析,用实验数据验证了电器烧毁的原因,并说明了中性线的重要性。     

八洋河料场宽孔距预裂爆破研究

根据八洋河料场地质和施工条件,利用预裂爆破成缝机理,计算各爆破参数理论数值。通过现场试验,最终确定八洋河料场大孔径宽孔距预裂爆破参数,半孔率达到90%以上,提高了工程质量,降低了工程造价,取得了较好的经济效益。