This work presents a self-contained continuum formulation for coupled chemical, mechanical and thermal contact interactions. The formulation is very general and hence admits arbitrary geometry, deformation and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the field equations and constitutive relations. In the process, the conjugated kinematic and kinetic variables for mechanical, thermal and chemical contact are identified, and the analogies between mechanical, thermal and chemical contact are highlighted. Particular focus is placed on the thermodynamics of chemical bonding distinguishing between exothermic and endothermic contact reactions. Distinction is also made between long-range, non-touching surface interactions and short-range, touching contact. For all constitutive relations examples are proposed and discussed comprehensively with particular focus on their coupling. Finally, three analytical test cases are presented that illustrate the thermo-chemo-mechanical contact coupling and are useful for verifying computational models. While the main novelty is the extension of existing contact formulations to chemical contact, the presented formulation also sheds new light on thermo-mechanical contact, since it is consistently derived from basic principles using only few assumptions.
翻译:这项工作为化学、机械和热接触相互作用提供了一种自成一体的连续连续配方,这种配方非常笼统,因而承认了任意的几何学、变形和物质行为。所有模型方程式严格地来自不可逆转热力框架内的质量、动力、能量和酶平衡法则,从而暴露了实地方程和构成关系中存在的所有组合。在这一过程中,查明了机械、热和化学接触的共振动动动变变数,突出显示了机械、热和化学接触之间的模拟。特别侧重于化学结合的热动力学,区分了异温和异温接触反应。在长距离、无触摸地表相互作用和短距离接触之间也作了区分。所有构成关系实例都得到了全面讨论,特别侧重于其组合。最后,提出了三个分析测试案例,以说明热化学和热能接触的结合,并可用于核查计算模型。主要的新发现是现有接触配方的热力动力动力动力学,但目前只是从化学接触的基本原理中衍生的,自提出以来,热感应假设也从不断得到。