计算机与应用化学
計算機與應用化學
계산궤여응용화학
COMPUTERS AND APPLIED CHEMISTRY
2013年
4期
365-369
,共5页
刘俏%刘立昕%金子豪%赵明举%齐小辉
劉俏%劉立昕%金子豪%趙明舉%齊小輝
류초%류립흔%금자호%조명거%제소휘
反应器%停留时间分布%曲线拟合%平滑样条%数值积分
反應器%停留時間分佈%麯線擬閤%平滑樣條%數值積分
반응기%정류시간분포%곡선의합%평활양조%수치적분
reactor%residence time distribution%curve fitting%smoothing spline%numerical integrals
反应器停留时间分布的确定是建立反应器流动模型的基础。本文介绍了用 MATLAB 的 Curve Fitting Toolbox 计算反应器停留时间分布的方法。通过在图形界面下导入数据及平滑处理、采用平滑样条拟合数据以及数值积分等操作,确定了反应器停留时间分布的特征值,并且以确定系数 R2、误差平方和以及均方根误差评价拟合模型的精确度。研究表明:计算结果与文献相吻合。该法运行可靠,无需编程、易于掌握。与传统计算方法相比,操作更为便捷,强有力的图形界面也使计算变得更加简单而直观。
反應器停留時間分佈的確定是建立反應器流動模型的基礎。本文介紹瞭用 MATLAB 的 Curve Fitting Toolbox 計算反應器停留時間分佈的方法。通過在圖形界麵下導入數據及平滑處理、採用平滑樣條擬閤數據以及數值積分等操作,確定瞭反應器停留時間分佈的特徵值,併且以確定繫數 R2、誤差平方和以及均方根誤差評價擬閤模型的精確度。研究錶明:計算結果與文獻相吻閤。該法運行可靠,無需編程、易于掌握。與傳統計算方法相比,操作更為便捷,彊有力的圖形界麵也使計算變得更加簡單而直觀。
반응기정류시간분포적학정시건립반응기류동모형적기출。본문개소료용 MATLAB 적 Curve Fitting Toolbox 계산반응기정류시간분포적방법。통과재도형계면하도입수거급평활처리、채용평활양조의합수거이급수치적분등조작,학정료반응기정류시간분포적특정치,병차이학정계수 R2、오차평방화이급균방근오차평개의합모형적정학도。연구표명:계산결과여문헌상문합。해법운행가고,무수편정、역우장악。여전통계산방법상비,조작경위편첩,강유력적도형계면야사계산변득경가간단이직관。
The residence time distribution (RTD) of a chemical reactor is a probability distribution function that describes the amount of time a fluid element could spend inside the reactor. Chemical engineers use the RTD to characterize the mixing and flow within reactors and to compare the behavior of real reactors to their ideal models. This is useful, not only for troubleshooting existing reactors, but in estimating the yield of a given reaction and designing future reactors. The determination of the RTD for a reactor is essential to the reactor flow model. This paper presents a new method to determine the RTD characteristics using MATLAB’s Curve Fitting Toolbox. The acquired data was imported and smoothed via the graphical user interface (GUI). Smoothing spline was used to produce smooth curves to fit to the data, and the RTD characteristics were calculated by numerical integrals. The root-mean-square error (RMSE), error sum of squares (SSE), and determination coefficient (R2) statistics were used to evaluate the model’s accuracy. The study showed that the calculated results are accurate and reliable because they are consistent with those in the literatures. Compared with the traditional calculations, this method provides visualized results, and the GUI simplifies the calculation and makes it intuitive. It can be easily mastered for those who are not adept programmers.