论文标题
非理想氩的分子行为和熵的数值模拟
Numerical Simulations of the Molecular Behavior and Entropy of Non-Ideal Argon
论文作者
论文摘要
建立了一个数值模型，模拟了动物理论的原理，以预测球形压力容器中分子的压力；该模型跟踪单个粒子并将球形壁上的力乘以一摩尔分子以预测净压力。添加了分子间的吸引力以进行高密度模拟，以复制真实的流体；选择该力以确保流体匹配彭 - 罗宾森的状态方程，因为它被压缩到接近超临界密度。研究了分子位置的标准偏差和相对于温度和密度的速度以定义熵。对使用近乎危险密度的Stirling循环热发动机进行了参数研究，以研究有吸引力的分子间范德华力的温度依赖性如何影响净熵净熵变化对周围环境的变化。
A numerical model is built, simulating the principles of kinetic gas theory, to predict pressures of molecules in a spherical pressure vessel; the model tracks a single particle and multiplies the force on the spherical walls by a mole of molecules to predict the net pressure. An intermolecular attractive force is added for high-density simulations, to replicate a real fluid; the force is chosen to ensure the fluid matches the Peng-Robinson equation of state as it is compressed to a near supercritical density. The standard deviations of the molecule position and velocity with respect to temperature and density is studied to define the entropy. A parametric study of a Stirling cycle heat engine utilizing near-supercritical densities is modeled, to study how the temperature dependence of the attractive intermolecular Van der Waal forces can affect the net total entropy change to the surrounding environment.
