Renormalization-Group Corrections to a Perturbed-Chain Statistical Associating Fluid Theory for Pure Fluids Near to and Far from the Critical Region
Renormalization-Group Corrections to a Perturbed-Chain Statistical Associating Fluid Theory for Pure Fluids Near to and Far from the Critical Region
复制标题
接近和远离临界区纯流体的扰动链统计关联流体理论的重正化群修正
DOI：
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发表时间：
2008
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影响因子：
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通讯作者：
Walter G Chapman
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文献类型：
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作者：
Adam S. Bymaster;Christopher P. Emborsky;Aleksandra Dominik;Walter G Chapman
基于白色的重整化群（RG）理论，考虑了临界区长波长密度涨落的贡献，对扰动链统计缔合流体理论（PC-SAFT）状态方程进行了扩展，加入了交叉修正。在临界区域，改进的交叉状态方程提供了正确的非经典临界指数。在远离临界区域的情况下，交叉方程简化为原始的PC-SAFT方程，从而保持了PC-SAFT在该区域的精度。没有修改原来的PC-SAFT分子参数是必要的，因此允许从三相点到临界点的热力学性质的准确描述。在临界区内外，计算结果与正构烷烃族的汽液平衡实验数据吻合得很好，所有临界常数Tc、Pc和ρc都在各自的实验误差范围内。这...
A perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state has been extended to include a crossover correction, based on White’s work with renormalization-group (RG) theory, that accounts for the contributions of long-wavelength density fluctuations in the critical region. In the critical region, the improved crossover equation of state provides the correct nonclassical critical exponents. Away from the critical region, the crossover equation reduces to the original PC-SAFT equation, therefore maintaining the accuracy of PC-SAFT in this region. No modifications to the original PC-SAFT molecular parameters are necessary, therefore allowing for an accurate description of thermodynamic properties from the triple point to the critical point. Excellent agreement with vapor−liquid equilibrium experimental data for the n-alkane family is obtained inside and outside the critical region, and all critical constants Tc, Pc, and ρc are calculated within their respective experimental errors. Th...