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Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 221-236 doi: 10.1007/s11705-021-2061-y

摘要： To study the dynamic behavior of a process, time-resolved data are collected at different time instants during each of a series of experiments, which are usually designed with the design of experiments or the design of dynamic experiments methodologies. For utilizing such time-resolved data to model the dynamic behavior, dynamic response surface methodology (DRSM), a data-driven modeling method, has been proposed. Two approaches can be adopted in the estimation of the model parameters: stepwise regression, used in several of previous publications, and Lasso regression, which is newly incorporated in this paper for the estimation of DRSM models. Here, we show that both approaches yield similarly accurate models, while the computational time of Lasso is on average two magnitude smaller. Two case studies are performed to show the advantages of the proposed method. In the first case study, where the concentrations of different species are modeled directly, DRSM method provides more accurate models compared to the models in the literature. The second case study, where the reaction extents are modeled instead of the species concentrations, illustrates the versatility of the DRSM methodology. Therefore, DRSM with Lasso regression can provide faster and more accurate data-driven models for a variety of organic synthesis datasets.

关键词： data-driven modeling     pharmaceutical organic synthesis     Lasso regression     dynamic response surface methodology    

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Optimization of the O/HO process with response surface methodology for pretreatment of mother liquor

《环境科学与工程前沿（英文）》 2021年 第15卷 第4期 doi: 10.1007/s11783-020-1371-5

摘要：

• Real ML-GFW with high salinity and high organics was degraded by O3/H2O2 process.

关键词： High salinity     High organic matters     Gas field wastewater     O3/H2O2     Response surface methodology    

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Optimization and modeling of coagulation-flocculation to remove algae and organic matter from surfacewater by response surface methodology

Ziming Zhao, Wenjun Sun, Madhumita B. Ray, Ajay K Ray, Tianyin Huang, Jiabin Chen

《环境科学与工程前沿（英文）》 2019年 第13卷 第5期 doi: 10.1007/s11783-019-1159-7

摘要： Charge neutralization and sweep flocculation were the major mechanisms. Effect of process parameters was investigated. Optimal coagulation conditions were studied by response surface methodology. ANN models presented more robust and accurate prediction than RSM. Seasonal algal blooms of Lake Yangcheng highlight the necessity to develop an effective and optimal water treatment process to enhance the removal of algae and dissolved organic matter (DOM). In the present study, the coagulation performance for the removal of algae, turbidity, dissolved organic carbon (DOC) and ultraviolet absorbance at 254 nm (UV254) was investigated systematically by central composite design (CCD) using response surface methodology (RSM). The regression models were developed to illustrate the relationships between coagulation performance and experimental variables. Analysis of variance (ANOVA) was performed to test the significance of the response surface models. It can be concluded that the major mechanisms of coagulation to remove algae and DOM were charge neutralization and sweep flocculation at a pH range of 4.66–6.34. The optimal coagulation conditions with coagulant dosage of 7.57 mg Al/L, pH of 5.42 and initial algal cell density of 3.83 × 106 cell/mL led to removal of 96.76%, 97.64%, 40.23% and 30.12% in term of cell density, turbidity, DOC and UV254 absorbance, respectively, which were in good agreement with the validation experimental results. A comparison between the modeling results derived through both ANOVA and artificial neural networks (ANN) based on experimental data showed a high correlation coefficient, which indicated that the models were significant and fitted well with experimental results. The results proposed a valuable reference for the treatment of algae-laden surface water in practical application by the optimal coagulation-flocculation process.

关键词： Algae     Coagulation-flocculation     Response surface methodology     Artificial neural networks    

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black onto acid-thermal modified sepiolite and optimization of adsorption conditions using Box-Behnken responsesurface methodology

Chengyuan SU, Weiguang LI, Yong WANG

《环境科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 503-511 doi: 10.1007/s11783-012-0477-9

摘要： The adsorption of direct fast black onto acid-thermal modified sepiolite was investigated. Batch adsorption experiments were performed to evaluate the influences of experimental parameters such as initial dye concentration, initial solution pH and adsorbent dosage on the adsorption process. The three-factor and three-level Box-Behnken response surface methodology (RSM) was utilized for modeling and optimization of the adsorption conditions for direct fast black onto the acid-thermal modified sepiolite. The raw sepiolite was converted to acid-thermal modified sepiolite, and changes in the fourier transform infrared spectrum (FTIR) adsorption bands of the sample were noted at 3435 cm and 1427 cm . The zeolitic water disappeared and the purity of sepiolite was improved by acid-thermal modification. The decolorization rate of direct fast black adsorbed increased from 68.2% to 98.9% on acid-thermal modified sepiolite as the initial solution pH decreased from 10 to 2. When the adsorbent dosage reached to 2.5 g·L , 2.0 g·L , 1.5 g·L and 1.0 g·L , the decolorization rate was 90.3%, 86.7%, 61.0% and 29.8%, respectively. When initial dye concentration increased from 25 to 200 mg·L , the decolorization rate decreased from 91.9% to 60.0%. The RSM results showed that the interaction between adsorbent dosage and pH to be a significant factor. The optimum conditions were as follows: the adsorbent dosage 1.99 g·L , pH 4.22, and reaction time 5.2 h. Under these conditions, the decolorization rate was 95.1%. The three dimensional fluorescence spectra of direct fast black before and after treatment showed that the direct fast black was almost all adsorbed by the acid-thermal modified sepiolite.

关键词： direct fast black     acid-thermal modified sepiolite     adsorption     response surface methodology    

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Response surface regression analysis on FeCrBSi particle in-flight properties by plasma spray

Runbo MA,Lihong DONG,Haidou WANG,Shuying CHEN,Zhiguo XING

《机械工程前沿（英文）》 2016年 第11卷 第3期   页码 250-257 doi: 10.1007/s11465-016-0401-2

摘要：

This work discusses the interactive effects between every two of argon flow rate, voltage, and spray distance on in-flight particles by plasma spray and constructs models that can be used in predicting and analyzing average velocity and temperature. Results of the response surface methodology show that the interactive effects between voltage and spray distance on particle in-flight properties are significant. For a given argon flow rate, particle velocity and temperature response surface are obviously bending, and a saddle point exists. With an increase in spray distance, the interactive effects between voltage and argon flow rate on particle in-flight properties appear gradually and then weaken. With an increase in voltage, the interactive effects between spray distance and argon flow rate on particle in-flight properties change from appearing to strengthening and then to weakening.

关键词： particle velocity     particle temperature     interactive effects     response surface    

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Development of a combined approach for improvement and optimization of karanja biodiesel using responsesurface methodology and genetic algorithm

Sunil DHINGRA, Gian BHUSHAN, Kashyap Kumar DUBEY

《能源前沿（英文）》 2013年 第7卷 第4期   页码 495-505 doi: 10.1007/s11708-013-0267-5

摘要： This paper described the production of karanja biodiesel using response surface methodology (RSM) and genetic algorithm (GA). The optimum combination of reaction variables were analyzed for maximizing the biodiesel yield. The yield obtained by the RSM was 65% whereas the predicted value was 70%. The mathematical regression model proposed from the RSM was coupled with the GA. By using this technique, 90% of the yield was obtained at a molar ratio of 38, a reaction time of 8 hours, a reaction temperature of 40 oC, a catalyst concentration of 2% oil, and a mixing speed of 707 r/min. The yield produced was closer to the predicted value of 94.2093%. Hence, 25% of the improvement in the biodiesel yield was reported. Moreover the different properties of karanja biodiesel were found closer to the American Society for Testing & Materials (ASTM) standard of biodiesel.

关键词： optimization of karanja biodiesel     genetic algorithm (GA)     response surface methodology (RSM)     percentage improvement in the biodiesel yield     properties of biodiesel    

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Removal of malachite green from aqueous solution by sorption on hydrilla verticillata biomass using responsesurface methodology

R. RAJESHKANNAN, N. RAJAMOHAN, M. RAJASIMMAN

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 146-154 doi: 10.1007/s11705-009-0007-x

摘要： In the present study, the effect of adsorbent dose, pH, temperature, initial dye concentration and contact time on malachite green removal from an aqueous medium using hydrilla verticillata biomass has been investigated. The central composite face-centered experimental design (CFCD) in response surface methodology (RSM) was used for designing the experiments as well as for full response surface estimation. The optimum conditions for maximum removal of malachite green from an aqueous solution of 75.52 mg/L were as follows: adsorbent dose (11.14 g/L), pH (8.4), temperature (48.4°C) and contact time (194.5 min). This was evidenced by the higher value of coefficient of determination ( =0.9158).

关键词： response surface methodology     hydrilla verticillata     malachite green     adsorption     central composite design    

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characteristics of a diesel engine operating on different water in diesel emulsion fuels: optimization using responsesurface methodology (RSM)

Seyed Saeed HOSEINI, Mohammad Amin SOBATI

《能源前沿（英文）》 2019年 第13卷 第4期   页码 636-657 doi: 10.1007/s11708-019-0646-7

摘要： The nitrogen oxide (NO ) release of diesel engines can be reduced using water in diesel emulsion fuel without any engine modification. In the present paper, different formulations of water in diesel emulsion fuels were prepared by ultrasonic irradiation. The water droplet size in the emulsion, polydisperisty index, and the stability of prepared fuel was examined, experimentally. Afterwards, the performance characteristics and exhaust emission of a single cylinder air-cooled diesel engine were investigated using different water in diesel emulsion fuels. The effect of water content (in the range of 5%–10% by volume), surfactant content (in the range of 0.5%–2% by volume), and hydrophilic-lipophilic balance (HLB) (in the range of 5–8) was examined using Box-Behnken design (BBD) as a subset of response surface methodology (RSM). Considering multi-objective optimization, the best formulation for the emulsion fuel was found to be 5% water, 2% surfactant, and HLB of 6.8. A comparison was made between the best emulsion fuel and the neat diesel fuel for engine performance and emission characteristics. A considerable decrease in the nitrogen oxide emission (–18.24%) was observed for the best emulsion fuel compared to neat diesel fuel.

关键词： water in diesel emulsion fuel     hydrophilic-lipophilic balance (HLB)     response surface methodology (RSM)     emulsion stability     engine performance     exhaust emission    

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Wastewater-nitrogen removal using polylactic acid/starch as carbon source: Optimization of operating parameters using responsesurface methodology

Yan GUO, Chuanfu WU, Qunhui WANG, Min YANG, Qiqi HUANG, Markus MAGEP, Tianlong ZHENG

《环境科学与工程前沿（英文）》 2016年 第10卷 第4期 doi: 10.1007/s11783-016-0845-y

摘要： The use of PLA/starch blends for nitrogen removal was achieved. The influence of different operating parameters on responses was verified using RSM. The conditions for desired responses were successfully optimized simultaneously. Blends material may have a promising application prospect in the future. Nitrogen removal from ammonium-containing wastewater was conducted using polylactic acid (PLA)/starch blends as carbon source and carrier for functional bacteria. The exclusive and interactive influences of operating parameters (i.e., temperature, pH, stirring rate, and PLA-to-starch ratio (PLA proportion)) on nitrification ( ), denitrification ( ), and COD release rates ( ) were investigated through response surface methodology. Experimental results indicated that nitrogen removal could be successfully achieved in the PLA/starch blends through simultaneous nitrification and denitrification. The carbon release rate of the blends was controllable. The sensitivity of , , and to different operating parameters also differed. The sequence for each response was as follows: for , pH>stirring rate>PLA proportion>temperature; for , pH>PLA proportion>temperature>stirring rate; and for , stirring rate>pH>PLA proportion>temperature. In this study, the following optimum conditions were observed: temperature, 32.0°C; pH 7.7; stirring rate, 200.0 r·min ; and PLA proportion, 0.4. Under these conditions, , , and were 134.0 μg-N·g-blend ·h , 160.9 μg-N·g-blend ·h , and 7.6 × 10 μg-O·g-blend ·h , respectively. These results suggested that the PLA/starch blends may be an ideal packing material for nitrogen removal.

关键词： Nitrogen removal     Polylactic acid     Starch     Carbon source     Response surface methodology    

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Parametric study on the mixed solvent synthesis of ZIF-8 nano- and micro-particles for CO adsorption: A responsesurface study

Alireza Hadi, Javad Karimi-Sabet, Abolfazl Dastbaz

《化学科学与工程前沿（英文）》 2020年 第14卷 第4期   页码 579-594 doi: 10.1007/s11705-018-1770-3

摘要： The room temperature synthesis of ZIF-8 micro- and nano-particles was investigated using a mixed methanol-water solvent system. ZIF-8 particles of good quality and high crystallinity were obtained. Response surface methodology was used to determine the effect of the synthesis conditions on the ZIF-8 yield, particle size distribution, and mean particle size. The ligand/metal salt molar ratio followed by the amount of sodium formate (the deprotonating agent) and then the amount of water (i.e., the composition of the mixed solvent) respectively had the largest effects on both the ZIF-8 yield and particle size. Results showed that mixing of solvents with different strengths in producing ZIF-8 crystals is a practical method to size-controlled synthesis of ZIF-8 particles. This method is more favorable for industrial-scale ZIF-8 synthesis than using excess amounts of ligands or chemical additives (like sodium formate). In addition, ZIF-8 samples with different mean particle sizes (100, 500, and 1000 nm) were used for CO adsorption and the mid-sized ZIF-8 particles had the highest adsorption capacity.

关键词： metal organic frameworks     zeolitic imidazolate frameworks     ZIF-8     response surface methodology     Box Behnken design     CO adsorption    

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POLLUTANTS IN FLOCCULATED LIQUID DIGESTATE USING PHOTOCATALYTIC TITANATE NANOFIBERS: MECHANISM AND RESPONSESURFACE OPTIMIZATION

《农业科学与工程前沿（英文）》 2023年 第10卷 第3期   页码 492-502 doi: 10.15302/J-FASE-2023503

摘要：

● Titanate NFs were synthesized and photodegraded liquid digestate for the first time.

关键词： titanate nanofibers     photocatalysis     poultry litter liquid digestate    

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Enhancement of the polynomial functions response surface model for real-time analyzing ozone sensitivity

Jiangbo Jin, Yun Zhu, Jicheng Jang, Shuxiao Wang, Jia Xing, Pen-Chi Chiang, Shaojia Fan, Shicheng Long

《环境科学与工程前沿（英文）》 2021年 第15卷 第2期 doi: 10.1007/s11783-020-1323-0

摘要： Abstract • The calculation process and algorithm of response surface model (RSM) were enhanced. • The prediction errors of RSM in the margin and transition areas were greatly reduced. • The enhanced RSM was able to analyze O3-NOx-VOC sensitivity in real-time. • The O3 formations were mainly sensitive to VOC, for the two case study regions. Quantification of the nonlinearities between ambient ozone (O3) and the emissions of nitrogen oxides (NOx) and volatile organic compound (VOC) is a prerequisite for an effective O3 control strategy. An Enhanced polynomial functions Response Surface Model (Epf-RSM) with the capability to analyze O3-NOx-VOC sensitivities in real time was developed by integrating the hill-climbing adaptive method into the optimized Extended Response Surface Model (ERSM) system. The Epf-RSM could single out the best suited polynomial function for each grid cell to quantify the responses of O3 concentrations to precursor emission changes. Several comparisons between Epf-RSM and pf-ERSM (polynomial functions based ERSM) were performed using out-of-sample validation, together with comparisons of the spatial distribution and the Empirical Kinetic Modeling Approach diagrams. The comparison results showed that Epf-RSM effectively addressed the drawbacks of pf-ERSM with respect to over-fitting in the margin areas and high biases in the transition areas. The O3 concentrations predicted by Epf-RSM agreed well with Community Multi-scale Air Quality simulation results. The case study results in the Pearl River Delta and the north-western area of the Shandong province indicated that the O3 formations in the central areas of both the regions were more sensitive to anthropogenic VOC in January, April, and October, while more NOx-sensitive in July.

关键词： Response surface model     Hill-climbing algorithm     Ozone pollution     Precursor emissions     Control strategy    

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New response surface model and its applications in aerodynamic optimization of axial compressor blade

LIU Xiaojia, NING Fangfei

《能源前沿（英文）》 2008年 第2卷 第4期   页码 541-549 doi: 10.1007/s11708-008-0077-3

摘要： A parametric method for the axial compressor 2D blade profiles is proposed in which the blade geometries are defined with the parameters commonly used for blade definition, which ensures that the geometric significance is clear and an unreasonable blade profile is not generated. Several illustrations are presented to show the fitting precision of the method. A novel response surface model is proposed which regards the objective distribution function in the vicinity of a sample as normal school, and then generates the response surface function in the whole design space by a linear combination of distribution functions of all the samples. Based on this model, a numerical aerodynamic optimization platform for the axial compressor 2D blade profiles is developed, by which aerodynamic optimization of two compressor blade profiles are presented.

关键词： definition     objective distribution     fitting precision     combination     numerical aerodynamic    

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Optimization of methyl orange removal from aqueous solution by response surface methodology using spent

Liangzhi LI,Xiaolin LI,Ci YAN,Weiqiang GUO,Tianyi YANG,Jiaolong FU,Jiaoyan TANG,Cuiying HU

《环境科学与工程前沿（英文）》 2014年 第8卷 第4期   页码 496-502 doi: 10.1007/s11783-013-0578-0

摘要： The effective disposal of redundant tea waste is crucial to environmental protection and comprehensive utilization of trash resources. In this work, the removal of methyl orange (MO) from aqueous solution using spent tea leaves as the sorbent was investigated in a batch experiment. First, the effects of various parameters such as temperature, adsorption time, dose of spent tea leaves, and initial concentration of MO were investigated. Then, the response surface methodology (RSM), based on Box–Behnken design, was employed to obtain the optimum adsorption conditions. The optimal conditions could be obtained at an initial concentration of MO of 9.75 mg·L , temperature of 35.3°C, contact time of 63.8 min, and an adsorbent dosage 3.90 g·L . Under the optimized conditions, the maximal removal of MO was 58.2%. The results indicate that spent tea leaves could be used as an effective and economical adsorbent in the removal of MO from aqueous solution.

关键词： spent tea leaves     adsorption     response surface methodology     methyl orange (MO)    

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Fluoride removal from secondary effluent of the graphite industry using electrodialysis: Optimization with responsesurface methodology

Xiaomeng Wang, Ning Li, Jianye Li, Junjun Feng, Zhun Ma, Yuting Xu, Yongchao Sun, Dongmei Xu, Jian Wang, Xueli Gao, Jun Gao

《环境科学与工程前沿（英文）》 2019年 第13卷 第4期 doi: 10.1007/s11783-019-1132-5

摘要：

RSM was utilized to optimize and model influential parameters on fluoride removal.

Regression models involving independent variables and main response were developed.

Interactive effects and optimum of process factors were illuminated and determined.

Fluoride removal efficiency of 99.69% was observed in optimal process conditions.

关键词： Response surface methodology     Fluoride removal     Electrodialysis     Box-Behnken design    

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标题 作者 时间 类型 操作

Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis

期刊论文

Optimization of the O/HO process with response surface methodology for pretreatment of mother liquor

期刊论文

Optimization and modeling of coagulation-flocculation to remove algae and organic matter from surfacewater by response surface methodology

Ziming Zhao, Wenjun Sun, Madhumita B. Ray, Ajay K Ray, Tianyin Huang, Jiabin Chen

期刊论文

black onto acid-thermal modified sepiolite and optimization of adsorption conditions using Box-Behnken responsesurface methodology

Chengyuan SU, Weiguang LI, Yong WANG

期刊论文

Response surface regression analysis on FeCrBSi particle in-flight properties by plasma spray

Runbo MA,Lihong DONG,Haidou WANG,Shuying CHEN,Zhiguo XING

期刊论文

Development of a combined approach for improvement and optimization of karanja biodiesel using responsesurface methodology and genetic algorithm

Sunil DHINGRA, Gian BHUSHAN, Kashyap Kumar DUBEY

期刊论文

Removal of malachite green from aqueous solution by sorption on hydrilla verticillata biomass using responsesurface methodology

R. RAJESHKANNAN, N. RAJAMOHAN, M. RAJASIMMAN

期刊论文

characteristics of a diesel engine operating on different water in diesel emulsion fuels: optimization using responsesurface methodology (RSM)

Seyed Saeed HOSEINI, Mohammad Amin SOBATI

期刊论文

Wastewater-nitrogen removal using polylactic acid/starch as carbon source: Optimization of operating parameters using responsesurface methodology

Yan GUO, Chuanfu WU, Qunhui WANG, Min YANG, Qiqi HUANG, Markus MAGEP, Tianlong ZHENG

期刊论文

Parametric study on the mixed solvent synthesis of ZIF-8 nano- and micro-particles for CO adsorption: A responsesurface study

Alireza Hadi, Javad Karimi-Sabet, Abolfazl Dastbaz

期刊论文

POLLUTANTS IN FLOCCULATED LIQUID DIGESTATE USING PHOTOCATALYTIC TITANATE NANOFIBERS: MECHANISM AND RESPONSESURFACE OPTIMIZATION

期刊论文

Enhancement of the polynomial functions response surface model for real-time analyzing ozone sensitivity

Jiangbo Jin, Yun Zhu, Jicheng Jang, Shuxiao Wang, Jia Xing, Pen-Chi Chiang, Shaojia Fan, Shicheng Long

期刊论文

New response surface model and its applications in aerodynamic optimization of axial compressor blade

LIU Xiaojia, NING Fangfei

期刊论文

Optimization of methyl orange removal from aqueous solution by response surface methodology using spent

Liangzhi LI,Xiaolin LI,Ci YAN,Weiqiang GUO,Tianyi YANG,Jiaolong FU,Jiaoyan TANG,Cuiying HU

期刊论文

Fluoride removal from secondary effluent of the graphite industry using electrodialysis: Optimization with responsesurface methodology

Xiaomeng Wang, Ning Li, Jianye Li, Junjun Feng, Zhun Ma, Yuting Xu, Yongchao Sun, Dongmei Xu, Jian Wang, Xueli Gao, Jun Gao

期刊论文