气凝胶纳米多孔隔热材料传热计算模型的研究

本文研究并建立了气凝胶复合隔热材料传热计算模型.针对气凝胶纳米多孔材料的分形结构特征,结合规则交叉球杆结构,提出了气凝胶纳米多孔材料的分形交叉球杆结构模型,并以此结构模型为基础,建立了气凝胶纳米多孔材料热导率分形计算模型,模型中同时考虑了尺寸效应对气相、固相传热方式的影响.对气凝胶中添加的遮光剂、增强纤维等微米典型结构,以Mie辐射散射理论为基础,结合Rossland扩散近似模型,考虑了辐射传热对热量传递的增强作用;同时结合经典的两相系统等效热导率计算公式,获得复合材料的辐射导热耦合热导率计算模型.本文从纳米尺度的气凝胶多孔材料传热模型到微米尺度的气凝胶复合隔热材料传热模型,建立了完整的气凝胶纳米多孔复合隔热材料等效热导率计算模型.模型与多个文献中气凝胶材料热导率实验数值进行比较,获得了满意的结果,验证了模型应用于气凝胶复合隔热材料等效热导率预测计算方面的有效性.     

金刚石/环氧树脂复合物热导率的分子动力学模拟

提高环氧树脂热界面材料热导率对解决5G等微电子芯片高热流密度散热问题具有重要意义.采用非平衡态分子动力学方法,重点研究了纳米金刚石填料的不同填充方式对环氧树脂基复合物热导率的影响.结果表明,单颗粒填充方式下,复合物热导率随金刚石尺寸的增大而增大,大尺寸金刚石填料可以降低复合物的自由体积分数,对热导率的提升效果更显著;多颗粒填充方式下,复合物热导率随颗粒数的增多呈先增大后减小的趋势,增加颗粒数可以减小复合物的自由体积分数,但具有更大的比表面积及界面热阻,其对热导率的削弱作用更为显著.此外,同一质量分数下,增大纳米金刚石颗粒尺寸比增加颗粒数对复合物热导率的提升效果更为显著.本文研究对具有高热导率的纳米金刚石/环氧树脂复合物热界面材料的设计和制备具有指导意义.     

考虑接触热阻的纳米颗粒堆积热导率的分析

本文首先使用Callaway热导率模型对SiO₂纳米颗粒的热导率进行了近似计算,然后耦合堆积纳米孔隙内的导热和辐射、颗粒接触热阻,基于颗粒堆积单元结构模型的一维传热分析,最终推导得到了颗粒堆积有效热导率关于颗粒直径和温度、堆积孔隙率、颗粒热导率、气相热导率、辐射传热和接触热阻的关系式,并用该式进行了相关讨论。研究结果表明,对于纳米颗粒堆积,界面接触热阻不容忽略;在低孔隙率和颗粒不参与辐射的条件下,由于受到接触热阻的影响,存在最佳孔隙率（或密度）使得堆积热导率存在最大值。     

高填充型复合材料的单胞模型有限元分析

通过有限元方法分析计算了高填充型复合材料面心立方和紧密堆积单胞模型的等效热导率。模拟研究了填料的填充量、填料的热导率和填料间接触面积的相对大小对复合材料等效热导率的影响。结果发现高填充量的面心立方复合材料可以获得较高等效热导率,大小颗粒混合填充的紧密堆积复合材料能够更大幅度地提高等效热导率。并且当填充颗粒之间出现接触时,等效热导率会随着填料间接触面积的增大而快速地增大。模拟研究表明,通过增加填料含量以及使填料之间相互接触形成热流通路是获得高热导率复合材料的有效途径,同时有助于指导相关的实验研究从而生产出高热导率的热界面材料。     

薄膜面内微结构对热物性的调控研究

提出了一种通过制作面内微结构实现聚酰亚胺薄膜面内热导率及表面红外发射率调控的方法。通过建立简化的二维热传导模型,实现了对具有周期性微结构薄膜面内等效热导率的计算。以此为基础,研究了微结构接触面积比及填充因子对等效热导率及等效红外发射率的影响。理论计算表明,当微结构的接触面积比为0.18、填充因子为0.28时,薄膜面内等效热导率仅为材料本身热导率的18.8%。实验制备了两种具有不同接触面积比和填充因子的聚酰亚胺薄膜。薄膜直径65mm,厚度约为500nm。采用非接触式面内热导率测量法测得无微结构薄膜的面内热导率为0.164W/mK,接触面积比为0.20及0.46的微结构薄膜的面内热导率分别为0.041W/mK和0.091W/mK,而发射率分别为0.161和0.175。     

随机结构多孔介质等效热导率数值计算

本文对二维颗粒弥散多孔介质的辐射导热耦合等效热导率进行了数值计算研究。首先采用随机生成结构方法(Random generate-growth method,RGGM)生成实际多孔材料的复杂结构。在此基础上,采用离散坐标法及有限容积法求解了复杂结构内部辐射导热耦合换热,进而计算得到材料的等效热导率。根据建立的材料随机结构模型及等效热导率数值计算模型,分别研究了衰减系数、弥散相体积分数、温度等因素对材料等效热导率的影响,并将数值计算结果与理论计算结果进行对比,吻合较好,反映出模型用于预测实际多孔材料等效热导率的有效性。     

金属纳米颗粒的热导率

本文使用统计模拟方法对金属纳米颗粒的电子平均自由程进行了计算,并考察了纳米颗粒的晶格比热和声子平均群速度,最后应用动力学理论对纳米颗粒的电子热导率和声子热导率分别进行了求解.研究结果表明:具有相同特征尺寸的方形、球形纳米颗粒的无量纲电子(或声子)平均自由程比较接近.金属纳米颗粒的电子热导率远大于声子热导率;电子、声子热导率随着直径减小呈现降低趋势,而电子热导率的颗粒尺度依赖性比声子热导率更为明显;随着颗粒直径进一步减小,声子热导率与电子热导率趋于同一数量级.当纳米颗粒特征尺寸大于4倍块材电子(或声子)平均自由程,其电子(或声子)热导率的颗粒尺度依赖性将减弱.     

CoSb_3/C_(60)复合材料的固相反应合成和热电性能

用固相反应法和脉冲电流直接通电烧结法制备了CoSb3 C6 0 复合材料 ,其组分通过粉末x射线衍射法确定 ,SEM分析表明C6 0 颗粒是均匀地分布在CoSb3基体中 .在 30 0— 80 0K范围内测量了材料的电导率、赛贝克系数和热导率 ,研究了纳米颗粒的尺寸和分布状态对复合材料热电性能的影响 .外加的C6 0 纳米颗粒在高温时降低了复合材料的晶格热导率 ,而对电传输性能影响较小 ,从而有效地提高了复合材料的热电性能 .与CoSb3相比 ,CoSb3 6 5 4 ? 0复合材料的ZT值提高了 4 0 % .     

基于壁面磨损的渣浆泵内固液两相流动分析

为探究渣浆泵内固液两相流动与过流部件磨损之间的关系,结合计算流体动力学与离散元方法,加入磨损模型,对泵内固液两相流动和过流部件的磨损进行模拟;借助试验结果验证数值模拟方案的物理有效性;考虑固体颗粒尺寸和固相质量分数的影响。结果表明:所建立的数值模拟方案可以较准确地预测泵内磨损的位置及磨损程度;随着固相质量分数和固体颗粒平均直径增加,叶轮和压水室表面的磨损加剧,磨损严重的区域集中在叶片进口边附近和叶片工作面出口处,磨损位置受固相质量分数的影响不明显;法向累积接触能量是导致磨损的关键因素;压水室的磨损程度较叶轮轻,且磨损量分布不均匀。     

颗粒数方程的求解及流化床数值模拟

流化床内颗粒聚并和破碎将影响颗粒相的流动特性.本文运用基于颗粒动理学理论的欧拉一欧拉气固多相流模型,利用直接矩积分方法求解颗粒数平衡方程,建立颗粒数密度与连续性方程、动量方程之间的关系,数值模拟流化床内两种不同直径颗粒发生聚并时气固两相流动特性。计算结果表明,颗粒聚并伴随着床内颗粒直径逐渐增大,床内颗粒流化状态逐渐变为固定床状态,两种颗粒直径均增加,且小颗粒的体积分数逐渐减小、大颗粒的体积分数增加。当仅考虑聚并过程时增加流化速度将导致床内颗粒体积平均直径变大。随着颗粒密度减小,床内体积平均直径增加。     

Thermal conductivity of a kind of mesoporous silica SBA-15

Mesoporous silica SBA-15 consists of uniform hexagonal, unconnected cylindrical channels with diameters that can be tuned within a range of 1.5 nm-30 nm, and is thought to have a special thermal conductivity. The theoretical investigation of the shell thermal conductivity of the mesoporous silica is performed in the relaxation time approximation in this paper and an available one-dimensional heat transfer model is used to predict the effective thermal conductivity （ETC） of the mesoporous silica. The experimental result of the ETC is also presented for comparison. The shell thermal conductivity of the mesoporous silica decreases with mesochannel radius increasing or wall thickness decreasing, but does not strictly decrease with porosity increasing. The thermal radiation possibly plays a primary role in heat transfer at the large porosity scale. The predicted ETC of SBA-15 with only conduction considered is quite low at the large porosity, even lower than the thermal conductivity of the silica aerogels. To realize it, doping carbon or other matters which can strongly absorb infrared light into SBA-15 is a possible way.     

Effect of Clusters on Thermal Conductivity in Nanofluids

We propose a new model for the effective thermal conductivities of nanottuids, which is derived from the fact that nanoparticles and clusters coexist in the fluids. The effects of the compactness and the perfectness of the contact between nanoparticles in clusters on the effective thermal conductivity of nanofluids are analysed. The proposed model indicates that the effective thermal conductivity of nanofluids decreases with the increasing concentration of clusters. The model predictions are compared with and are in good agreement with the available experimental data.     

Investigation of thermal transport in colloidal silica dispersions (nanofluids)

Thermal conductivity enhancement in colloidal silica dispersions (nanofluids) is investigated experimentally using a novel optical technique. The effects of nanoparticle size, concentration, and state of aggregation are examined. New data on well dispersed systems are compared to published data obtained using the more conventional transient hot-wire technique and good agreement was found. Experimental results are also compared with model predictions for relative thermal conductivity based on effective medium theory. For systems composed of larger diameter nanoparticles (~30 nm), good agreement was found between the measured thermal conductivity enhancement and that predicted by the classical Maxwell-Garnett model. For systems composed of smaller nanoparticles (∼10 and 20 nm), thermal conductivity enhancement was reduced by as much as 10%, presumably because interfacial thermal resistance effects become important. Measurements on two systems that were induced to form gels exhibited an increase in thermal conductivity of approximately 5% relative to the well-dispersed systems. The observed increase in thermal conductivity is larger than that predicted by a recently proposed model for aggregated nanofluids.     

浸渍过程对纳米纤维素/二氧化硅复合气凝胶结构与性能研究

纳米纤维素(CNF)气凝胶兼具传统气凝胶的优异特性和自身优良的生物相容性和可降解性,在很多领域应用前景广阔。然而纤维素自身的超亲水性严重限制了其更广泛的应用,为改善纤维素气凝胶的亲水性能,提高其综合应用性能,采用简单浸渍法在纤维素气凝胶基体中引入二氧化硅(SiO₂)颗粒制备纳米纤维素/二氧化硅复合气凝胶,利用傅里叶红外光谱仪(FTIR)分析纤维素气凝胶和复合气凝胶的化学结构;用扫描电镜(SEM)观察气凝胶的微观结构;测定气凝胶的物理、力学性能和接触角。结果表明,复合气凝胶在3 340 cm-1处-OH吸收峰较纤维素气凝胶均有所减弱,表明SiO₂的引入促使Si-OH形成,也降低了气凝胶的亲水性,同时有Si-CH₃和Si-O-Si吸收振动峰出现,表明三甲基氯硅烷(TMCS)的改性作用以及纤维素与SiO₂颗粒之间形成稳定化学键连接。浸渍时间影响硅含量,进而影响气凝胶的密度、比表面积和孔隙率。当浸渍时间为10 min时制备的复合气凝胶性能较好,其微观结构分布均匀,具有疏水性能,接触角可达152°,同时气凝胶仍具有较好的力学性能和较低密度,其压缩模量和压缩性能分别为5.91和1.38 MPa,密度为0.1 g·cm-3。     

A Fractal Model for Effective Thermal Conductivity of Isotropic Porous Silica Low-k Materials

We establish a new model based on fractal theory and cubic spline interpolation to study the effective thermal conductivity of isotropic porous silica low-k materials. A 3D fractal model is introduced to describe the structure of the silica xerogel and silica hybrid materials （such as methylsilsesquioxane, MSQ）. Combined with fractal structure, a more suitable medium approximation is developed to study the isotropic porous silica xerogel and MSQ materials. Cubic spline interpolation for fitting discrete predictions from the fractal model is used to obtain the continuous function of the effective thermal conductivity versus porosity. Compared with other common models, the effective thermal conductivity predicted by our model presents better agreement with the experimental data for all porosity. These results indicate that the proposed model is valid.     

Organic modification of TEOS based silica aerogels using hexadecyltrimethoxysilane as a hydrophobic reagent

The experimental results on the synthesis and characterization of tetraethoxysilane (TEOS) based hydrophobic silica aerogels using hexadecyltrimethoxysilane (HDTMS) as a hydrophobic reagent by two step sol-gel process, are described. The molar ratio of tetraethoxysilane (TEOS), methanol (MeOH), acidic water (0.001 M, oxalic acid) and basic water (10 M, NH₄OH) was kept constant at 1:55:3.25:1.25 and the molar ratio of HDTMS/TEOS (M) was varied from 0 to 28.5 × 10⁻². The organic modification was confirmed by infrared spectroscopic studies, and the hydrophobicity of the aerogels was tested by the contact angle measurements. The maximum contact angle of 152° was obtained for M = 22.8 × 10⁻². The aerogels retained the hydrophobicity up to a temperature of 240 °C and above this temperature the aerogels became hydrophilic. The aerogels were characterized by the thermal conductivity, density, contact angle measurements, optical transmission and scanning electron micrographs.     

Hydrophobic and physical properties of the ambient pressure dried silica aerogels with sodium silicate precursor using various surface modification agents

The experimental results on the synthesis and physical properties of the ambient pressure dried hydrophobic silica aerogels in the presence of various surface modification (silylating) agents are presented. The silica aerogels were prepared with 1.12 specific gravity ion exchanged sodium silicate solution, 1N ammonium hydroxide, solvent exchanged with ethanol and hexane, and surface modification with 20% silylating agent in hexane followed by drying the modified gel up to 200 °C. The molar ratio of sodium silicate, water, ammonium hydroxide and silylating agent was kept at 1:45:4.3 × 10⁻²:5, respectively. The physical properties of the aerogels such as density, % of porosity, pore volume, thermal conductivity and contact angle measurements were studied by using various mono, di and tri alkyl or aryl silylating agents (SAs). The tri alkyl silylating agents produced low % of volume shrinkage (2%), low density (0.06 g/cm³), low refractive index (1.011), more pore volume (16.15cm³/g), high percentage of porosity (96.9%) and hydrophobic (contact angle >150°) silica aerogels. It was found from the Fourier transform infrared spectroscopic (FTIR) studies of the aerogels that the intensity of the bands related to the SiC and CH are more and the SiOH and OH are less with the tri than mono and di alkyl SAs. It was found from the TGA-DTA studies of the aerogels with increase in temperature above 325 °C, the % of weight decrease in TGA and exothermic peak in DTA are more with tri than the mono and di alkyl SAs. The SEM studies of the aerogels showed the large pore and particle sizes in the silica network with the tri alkyl SAs. The % of optical transmission of the aerogels is less with the tri alkyl SAs than the mono and di alkyl SAs. It was found from the contact angle and water adsorption studies that the hydrophobicity of the silica aerogel is more with tri alkyl than the di and mono alkyl silylating agents.     

考虑界面接触热阻的一维复合结构的热整流机理

建立了考虑变截面、变热导率及界面接触热阻效应的组合热整流结构的温度场及热整流系数的理论模型和有限元解.数值算例证明了本文模型及算法的可靠性,进而通过参数影响研究确定了若干几何及材料参数对结构热整流系数的影响规律,揭示界面接触热阻对热整流效果的影响机理.研究结果表明长度比、截面半径变化率、热导率、边界条件温差和界面接触热阻等因素必须通过优化设计才能得到最大的热整流系数,同时界面接触热阻的引入也为调控热整流系数提供了一条新的途径.