Chemical vapour infiltration (CVI) of pyrolytic carbon is described as a moving boundary problem to determine the evolution of the pyrolytic carbon layer in space and time. Derived from real geometries, a one-dimensional single pore model is developed yielding a nonlinear coupled system of partial differential equations for the concentrations of the gas phase species and the height of the carbon layer within cylindrical pores. The evolution of the moving boundary of the gas phase domain is governed by a non-differentiable minimisation condition. Additionally, a CVI reactor model to describe the infiltration of several cylindrical pores within a porous substrate is presented on the basis of the single pore model. Both models are new in that they combine the following features: (i) derivation of the equations rigorously taking into account the temporal change of the gas phase, (ii) the explicit construction of the position of the gas--solid interface, (iii) the influence of the local curvature of the carbon layer on its growth velocity, and (iv) modelling of chemical kinetics using a reduced reaction scheme with intermediate gas phase species and several surface reactions. The models are solved numerically using a staggered strongly decoupled scheme with implicit Euler time integration. The results allow the identification of process conditions and geometries for which a complete infiltration of the pores or the whole substrate is achieved. For low pressures, the predictions of the CVI reactor model are in agreement with the available experimental data.
SUMMARYThe present work is inspired by Anderson et al. (Phys. D Nonlinear Phenom. 2000; 135(1-2):175-194) and Noll (http://www.math.cmu.edu/wn0g/noll) and falls in the conceptual line of the Ginzburg-Landau class of first-order phase-transition models based on the concept of phase-field parameter. Trying to keep the exposition as much general as possible, we develop below a thermodynamically consistent rationalization of the physical process of (anisotropic) deposition of pyrolytic carbon from a gas phase. The derivation line we follow is well established in the field of the modern continuum physics. From the covariance of the first principle of thermodynamics, the second Newton's law and the Liouville's theorem with respect to the one-dimensional Lie groups of transformations, the balance laws for the temperature, linear momentum and density are formulated. This system of partial differential equations is comprehended further by the constitutive laws for the phase field, the stress, and the heat and entropy fluxes obtained in a form consistent with the Clausius-Duhem understanding of the second law. The result referred to as a local, strongly coupled initial boundary value problem of chemical vapor deposition (IBVP-CVD) constitutes the general mathematical description of the CVD process. The weak form of isotropic IBVP-CVD is then derived and discretized by means of the discontinuous Galerkin method. At the end of the paper, we also derive the weak formulations for the local lifting operators that provide the stabilization mechanism for the discontinuous Galerkin discretization scheme.
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