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首页> 外文期刊>Journal of industrial and engineering chemistry >Dynamic simulation of fluids in vessels via entropy maximization
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Dynamic simulation of fluids in vessels via entropy maximization

机译：通过熵最大化对容器中流体进行动态模拟

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This paper proposes a new method to simulate the dynamic behavior of fluids in vessels of known and fixed volume, under the assumption of instantaneous phase equilibrium. The mathematical formulation of the problem leads to a system of differential-algebraic equations, in which the mass and energy balances are ordinary differential equations (ODE) and the phase equilibrium conditions give the algebraic equations. The structure of the problem is such that, at each time step, the internal energy, volume, and number of moles of each component inside the vessel are known. The equilibrium state of the fluid under these specifications maximizes the entropy. An entropy maximization method recently proposed for this problem in the literature was coupled with an ODE solver. The procedure can track the appearance and disappearance of phases in the vessel, adding or removing them as necessary. The examples show applications of the procedure to problems with one, two, or three phases, in different types of dynamic problems. Numerical convergence was easily achieved in all cases, showing the robustness of the proposed procedure.
机译：本文提出了一种在瞬时相平衡假设下模拟已知体积和固定体积的容器中流体动力学行为的新方法。问题的数学表述导致了一个微分-代数方程组，其中质量和能量平衡是常微分方程（ODE），而相平衡条件给出了代数方程。问题的结构使得在每个时间步骤中，容器内部每种成分的内部能量，体积和摩尔数都是已知的。在这些规格下，流体的平衡状态使熵最大化。最近在文献中针对此问题提出的熵最大化方法与ODE求解器结合在一起。该程序可以跟踪容器中各相的出现和消失，并根据需要添加或删除它们。这些示例显示了该过程在具有不同类型的动态问题的一相，两相或三相问题中的应用。在所有情况下都易于实现数值收敛，显示了所提出程序的鲁棒性。

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