Small-scale forward smouldering experiments for remediation of coal tar in inert media

This paper presents a series of experiments conducted to assess the potential of smouldering combustion as a novel technology for remediation of contaminated land by water-immiscible organic compounds. The results from a detailed study of the conditions under which a smouldering reaction propagates in sand embedded with coal tar are presented. The objective of the study is to provide further understanding of the governing mechanisms of smouldering combustion of liquids in porous media. A small-scale apparatus consisting of a 100-mm in diameter quartz cylinder arranged in an upward configuration was used for the experiments. Thermocouple measurements and visible digital imaging served to track and characterize the ignition and propagation of the smouldering reaction. These two diagnostics are combined here to provide valuable information on the development of the reaction front. Post-treatment analyses of the sand were used to assess the amount of coal tar remaining in the soil. Experiments explored a range of inlet airflows and fuel concentrations. The smouldering ignition of coal tar was achieved for all the conditions presented here and self-sustained propagation was established after the igniter was turned off. It was found that the combustion is oxygen limited and peak temperatures in the range 800–1080 °C were observed. The peak temperature increased with the airflow at the lower range of flows but decreased with airflow at the higher range of flows. Higher airflows were found to produce faster propagation. Higher fuel concentrations were found to produce higher peak temperatures and slower propagation. The measured mass removal of coal tar was above 99% for sand obtained from the core and 98% for sand in the periphery of the apparatus.     

空气在多孔介质中对流换热的数值模拟

本文对空气在多孔结构中的对流换热进行了数值研究．数值模拟与实验的比较表明,对空气在玻璃或轴承钢颗粒多孔结构中的对流换热进行数值模拟时,应采用考虑热弥散效应的局部非热平衡模型．本文还研究了颗粒直径、颗粒导热系数、空气物性随压力的变化及粘性耗散等对换热的影响．     

多孔介质中超临界C O2对流换热数值模拟

本文对超临界二氧化碳在多孔结构中的对流换热进行了数值模拟研究.结果表明,超临界条件下二氧化碳剧烈的变物性对多孔介质中的对流换热会产生很大影响;局部热平衡条件下对流换热系数的数值计算值比局部非热平衡条件下的计算结果大;对流换热系数随着颗粒直径的增大而增大.     

Eliminating the Cuspidal Temperature Profile of a Non-equilibrium Chain

In 1967, Z. Rieder, J. L. Lebowitz, and E. Lieb (RLL) introduced a model of heat conduction on a crystal that became a milestone problem of non-equilibrium statistical mechanics. Along with its inability to reproduce Fourier’s law—which subsequent generalizations have been trying to amend—the RLL model is also characterized by awkward cusps at the ends of the non-equilibrium chain, an effect that has endured all these years without a satisfactory answer. In this paper, we first show that such trait stems from the insufficiency of pinning interactions between the chain and the substrate. Assuming the possibility of pinning the chain, the analysis of the temperature profile in the space of parameters reveals that for a proper combination of the border and bulk pinning values, the temperature profile may shift twice between the RLL cuspidal behavior and the expected monotonic local temperature evolution along the system, as a function of the pinning. At those inversions, the temperature profile along the chain is characterized by perfect plateaux: at the first threshold, the cumulants of the heat flux reach their maxima and the vanishing of the two-point velocity correlation function for all sites of the chain so that the system behaves similarly to a “phonon box.” On the other hand, at the second change of the temperature profile, we still have the vanishing of the two-point correlation function but only for the bulk, which explains the emergence of the temperature plateau and thwarts the reaching of the maximal values of the cumulants of the heat flux.     

Modelling transient heat conduction in solids at multiple length and time scales: A coupled non-equilibrium molecular dynamics/continuum approach

A method for controlling the thermal boundary conditions of non-equilibrium molecular dynamics simulations is presented. The method is simple to implement into a conventional molecular dynamics code and independent of the atomistic model employed. It works by regulating the temperature in a thermostatted boundary region by feedback control to achieve the desired temperature at the edge of an inner region where the true atomistic dynamics are retained. This is necessary to avoid intrinsic boundary effects in non-equilibrium molecular dynamics simulations. Three thermostats are investigated: the global deterministic Nosé–Hoover thermostat and two local stochastic thermostats, Langevin and stadium damping. The latter thermostat is introduced to avoid the adverse reflection of phonons that occurs at an abrupt interface. The method is then extended to allow atomistic/continuum models to be thermally coupled concurrently for the analysis of large steady state and transient heat conduction problems. The effectiveness of the algorithm is demonstrated for the example of heat flow down a three-dimensional atomistic rod of uniform cross-section subjected to a variety of boundary conditions.     

Thermodynamic Properties of Non-equilibrium States in Quantum Field Theory

Within the framework of relativistic quantum field theory, a novel method is established which allows for distinguishing non-equilibrium states admitting locally a thermodynamic interpretation. The basic idea is to compare these states with global equilibrium states (KMS states) by means of local thermal observables. With the help of such observables, the states can be ordered into classes of increasing local thermal stability. Moreover, it is possible to identify states exhibiting certain specific thermal properties of interest, such as a definite local temperature or entropy density. The method is illustrated in a simple model describing the spatio-temporal evolution of a “big heat bang.”     

热储周围岩石热补偿对增强型地热系统采热过程的影响

采用自行开发的增强型地热系统(EGS)地下热流动过程三维动态模拟软件,模拟不同地质条件下EGS的长期运行过程,分析热储周围岩体的热补偿对产热温度以及热储内岩石、流体温度演化的影响.该数值模型视热储为等效多孔介质,采用两个能量方程分别描述流体和岩石的温度场,深入探究岩石与循环流体之间的换热过程.研究发现,热储周围岩体的热补偿作用与热储内流场形态强烈相关,且并不总是提高EGS的生产温度.在深度方向上有较大的优势流动的热储中,热补偿作用在EGS运行早期甚至会降低采出流体的温度.随着EGS的运行,热储温度持续降低,热补偿将对热能开采的影响将逐渐转向正面,对生产流体温度的提高效果增强.     

The onset of convection in a couple stress fluid saturated porous layer using a thermal non-equilibrium model

The stability of a couple stress fluid saturated horizontal porous layer heated from below and cooled from above when the fluid and solid phases are not in local thermal equilibrium is investigated. The Darcy model is used for the momentum equation and a two-field model is used for energy equation each representing the solid and fluid phases separately. The linear stability theory is employed to obtain the condition for the onset of convection. The effect of thermal non-equilibrium on the onset of convection is discussed. It is shown that the results of the thermal non-equilibrium Darcy model for the Newtonian fluid case can be recovered in the limit as couple stress parameter C→0. We also present asymptotic analysis for both small and large values of the inter phase heat transfer coefficient H. We found an excellent agreement between the exact solutions and asymptotic solutions when H is very small.     

A molecular dynamics simulation: the effect of finite size on the thermal conductivity in a single crystal silicon

Non-equilibrium molecular dynamics (NEMD) simulations are performed to calculate thermal conductivity. The environment-dependent interatomic potential (EDIP) potential on crystal silicon is adopted as a model system. The issues are related to nonlinear response, local thermal equilibrium and statistical averaging. The simulation results by non-equilibrium molecular dynamics show that the calculated thermal conductivity decreases almost linearly as the film thickness reduced at the nanometre scale. The effect of size on the thermal conductivity is also obtained by a theoretic analysis of the kinetic theory and formulas of the heat capacity. The analysis reveals that the contributions of phonon mean free path (MFP) and phonon number in a finite cell to thermal conductivity are very important.     

火星进入热环境预测的热力学模型数值分析

采用数值模拟目的 研究不同热力学模型中火星飞行器表面的热环境.研究发现,驻点区域流动近似为热力学平衡,随着飞行高度增加,流动逐渐偏向热力学非平衡.当壁面为非催化壁时,不同热力学模型所得热流基本一致,当壁面为完全催化壁时,热力学非平衡模型所得热流更高,这种差异由化学反应特征温度差异引起,并随着流动的热力学非平衡特性增加而增加.     

超快脉冲激光辐照金属薄膜热-力效应的模拟研究

基于双曲双温两步热传导和热电子崩力模型,考虑到超快脉冲激光辐照金属薄膜材料过程中的热-力耦合效应,得到了完全耦合的、非线性的超快热弹性模型.运用具有人工粘性和自适应步长的有限差分算法,以脉宽为100 fs的脉冲激光辐照200 nm厚金膜为例,对薄膜体内的电子-晶格温度及温度梯度、热应力和电子热流进行了数值模拟研究.结果表明：脉冲辐照早期为明显的非平衡加热阶段,同时形成较大的热电子崩力;电子热流出现双峰现象;超快加热引起的热应力是导致薄膜力学损伤的主要原因.     

应力对石墨烯热输运性质影响的分子动力学模拟

本文建立了低维薄膜材料导热模型,运用非平衡分子动力学模拟的方法,利用lanmmps软件对单层石墨烯纳米带的导热特性进行仿真分析,根据Fourier定律计算热导率,再对石墨烯纳米带的原子施加一定耦合应力场,把应力耦合作用下的石墨烯热导率与正常的石墨烯纳米带进行了对比研究,模拟数据结果表明:在石墨烯纳米带上施加耦合应力时,会导致石墨烯纳米带热导率升高,且随应力增加而增大,模拟范围内热导率升高2.61倍,并且应力方向会对热导率变化产生一定影响,这个研究为纳米尺度上石墨烯相关研究和进一步提升热导率提供了新思路.     

The effect of perfusion on the temperature distribution during thermotherapy: Study on perfused porcine kidneys

The effect of perfusion on the temperature distribution during radio-frequency hyperthermia and laser-induced thermotherapy was investigated with the perfused porcine kidney model. The phase shift-based proton resonance frequency shift method was used to map the temperature distribution. In experiments with modulated perfusion rates it was demonstrated that perfusion dissipates a significant amount of the absorbed energy and, therefore, the resulting heat distribution is strongly dependent on the perfusion rate. The measured time course of the temperature distribution was used to estimate the thermal conductivity, local perfusivity and heat absorption rate of the tissue. These parameters were in a good agreement with literature data. This approach can also be extended to measure heat absorption and heat transfer parameters in vivo, which can significantly improve the accuracy of thermotherapy session planning.     

复杂多孔介质腔体内自然对流换热的数值研究

采用曲线坐标系下压力与速度耦合的SIMPLEC算法,数值研究复杂多孔介质腔体内的自然对流换热问题.腔体的曲面温度分别保持恒定,上下表面绝热.在曲线坐标系中用有限容积法离散方程,并采用Brinkman扩展达西模型及局部非热平衡模型求解,综合研究Rayleigh数,Darcy数、孔隙率等参数对腔体内自然对流换热的影响.计算结果表明:Rayleigh数和Darcy数的影响最大而孔隙率的影响很小,同时存在使得腔体内换热达到最强的最佳纵横比.     

Local control of electric current driven shell etching of multiwalled carbon nanotubes

We report on a novel method for local control of shell engineering in multiwalled carbon nanotubes (MWNTs) using Joule-heating induced electric breakdown. By modulating the heat dissipation along a nanotube, we can confine its thinning and shell breakdown to occur within localized regions of peak temperatures, which are distributed over one-half of the NT length. The modulation is achieved by using suitably designed nanomachined heat sinks with different degrees of thermal coupling at different parts of a current-carrying nanotube. The location of electric breakdown occurs precisely at the regions of high temperatures predicted by the classical finite-element model of Joule heating in the MWNT. The experiments herein provide new insight into the electric breakdown mechanism and prove unambiguously that shell removal occurs due to thermal stress, underpinning the diffusive nature of MWNTs. The method demonstrated here has the potential to be a powerful tool in realizing MWNT bearings with complex architectures for use in integrated nanoelectromechanical systems (NEMS). In addition, the breakdown current and power in the nanotubes are significantly higher than those observed in nanotubes without heat removal via additional heat sinks. This indicates future avenues for enhancing the performance of MWNTs in electrical interconnect and nanoelectronic applications. PACS  73.63.Fg; 65.80.+n     

Analytical Analysis of Heat Transfer and Entropy Generation in a Tube Filled with Double-Layer Porous Media

The heat transfer and entropy generation in a tube filled with double-layer porous media are analytically investigated. The wall of the tube is subjected to a constant heat flux. The Darcy-Brinkman model is utilized to describe the fluid flow, and the local thermal non-equilibrium model is employed to establish the energy equations. The solutions of the temperature and velocity distributions are analytically derived and validated in limiting case. The analytical solutions of the local and total entropy generation, as well as the Nusselt number, are further derived to analyze the performance of heat transfer and irreversibility of the tube. The influences of the Darcy number, the Biot number, the dimensionless interfacial radius, and the thermal conductivity ratio, on flow and heat transfer are discussed. The results indicate, for the first time, that the Nusselt number for the tube filled with double-layer porous media can be larger than that for the tube filled with single layer porous medium, while the total entropy generation rate for the tube filled with double-layer porous media can be less than that for the tube filled with single layer porous medium. And the dimensionless interfacial radius corresponding to the maximum value of the Nusselt number is different from that corresponding to the minimum value of the total entropy generation rate.     

磁流体热疗中热质传递耦合作用研究

为研究肿瘤磁流体热疗过程中温度梯度与浓度梯度间的耦合效应对磁微粒的弥散及肿瘤内传热的影响,本文根据非平衡热力学唯象定律建立了包含浓度场及温度场的耦合传热传质模型,以常数形式的热扩散系数表征温度梯度对传质过程的影响程度。通过有限元法求解,得到考虑双场耦合作用时肿瘤内的浓度分布和温度分布。模拟结果表明,与不考虑耦合效应的情...     

Thermo-Magneto-Electric Currents with Dynamical Magnetization Inhomogeneities

We study the effect of potential and thermal gradient induced non-equilibrium magnetization in quasi 1-d itinerant magnets. A semi-phenomenological theory is employed in conjunction with the drift-diffusion model for this study. Using the methods of non-equilibrium thermodynamics, we derive the transport currents corresponding to charge, heat, and magnetization flows in the presence of non-equilibrium magnetization textures.It is shown how time-dependent magnetic textures give rise to charge and thermalcurrents even in the absence of external potential and thermal gradients through spinpumping.The presence of dynamical textures also affect the thermodynamic parameters of the system. As an application, we consider the case of a helimagnet.     

固态金属中声子热传递的分子动力学模拟研究

固态金属中的热传递是声子和自由电子共同作用的结果。自由电子引起的热导率可以通过电导率,利用Wiedemann-Franz定律得到,声子引起的热导率目前仍然不能进行实验测量,只能借助其他方法来研究。本文采用非平衡分子动力学(NEMD)方法,用镶嵌原子方法(EAM)势能模型,模拟计算了不同厚度(1.760-10.56nm)金属镍薄膜中由于声子-声子作用引起的热导率。然后根据纳米厚度金属薄膜的热导率借助关联式推到宏观尺度下由于声子-声子作用引起的热导率。结果表明,对于纳米厚度金属薄膜,由于声子-声子作用引起的热导率比块体金属镍的热导率小一个数量级;薄膜厚度越小,声子-声子作用引起的热导率越小;对于块体金属镍,由于声子-声子作用引起的热导率约占其总热导率的33.0%左右。