Experimental optimization and mathematical modeling of supercritical carbon dioxide extraction of essential oil from Pogostemon cablin

The supercritical carbon dioxide extraction was applied to obtain essential oil from Pogostemon cablin in this work.Effect of extraction parameters including temperature,pressure,extraction time and particle size on extraction yield was investigated,and the response surface methodology with a Box–Behnken Design was used to achieve the optimized extraction conditions.The maximum yield of essential oil was 2.4356%under the conditions of extraction temperature 47°C,pressure 24.5 MPa and extraction time 119 min.Moreover,based on the Brunauer–Emmett–Teller theory of adsorption,a mathematical modeling was performed to correlate the measured data.The model shows a function relationship between extraction yield and time by a simple equation with three significantly adjustable parameters.These model parameters have been optimized through simulated annealing algorithm.The predicted data from the mathematical model show a good agreement with the experimental data of the different extraction parameters.

Metal Ions Extraction with Glucose Derivatives as Chelating Reagents in Supercritical Carbon Dioxide

A series of glucose derivatives have been used as chelating reagents to extract metal ions in supercritical carbon dioxide. With perfluoro-l-octanesulfonic acid tetraethylammonium salt as additive, glucose derivatives were selective for Sr^2＋ and Pb^2＋ extraction in supercritical carbon dioxide.

Response Surface Optimization of Nigella glandulifera Freyn Seed Oil Yield by Supercritical Carbon Dioxide Extraction

Supercritical carbon dioxide （SC-CO2） extraction was employed to extract oil from Nigella glandulifera Freyn seed in this study. Response surface methodology （RSM） was applied to evaluate the effects of the process parameters （pressure, temperature, and CO2 flow rate） on oil yield of N. glandulifera seed. A Box-Behnken design was used to optimize the extraction parameters. The analysis of variance indicated that the linear coefficients of pressure and CO2 flow rate, the quadratic term coefficients of pressure and temperature and the interactions between pressure and temperature, as well as temperature and CO2 flow rate, had significant effects on the oil yield （P〈0.05）. The optimal conditions to obtain the maximum oil yield from N. glandulifera seed were pressure 30.84 MPa, temperature 40.57°C, and CO2 flow rate 22.00 L h-1. Under these optimal conditions, the yield of oil was predicted to be 38.19%. The validation experiment results agreed with the predicted values. The fatty acid composition of N. glandulifera seed oil extracted using SC-CO2 was compared with that of oil obtained by Soxhlet method. The results showed that the fatty acid compositions of oil extracted by the two methods were similar. Identification of oil compounds with gas chromatography-mass spectrometry （GC-MS） showed that the contents of unsaturated fatty acids linoleic acid （48.30%）, oleic acid （22.28%） and saturated fatty acids palmitic acid （16.65%）, stearic acid （4.17%） were the most abundant fatty acids in seed oil from N. glandulifera.

Supercritical Carbon Dioxide Extraction of Andrographolide from Andrographis paniculata： Effect of the Solvent Flow Rate, Pressure, and Temperature

Andrographis paniculata Nees 广泛地对发烧，痢疾，腹泻，发炎，和酸的喉咙为传统的药和帮助被使用了。在这研究， andrographolide，这植物的主要部件从 A 的叶子被提取。用超级批评二氧化碳的 paniculata。操作压力从 7.50 被改变到 20MPa，温度从 30 ° C 被改变到 60 ° C，并且流动率从 0.5 被改变到 4ml · m in-1。最好的抽取条件为 A 的一件 3g 样品发生在 10MPa， 40 ° C，和 2ml · m in-1 的流动率。paniculata 弄干地面的叶子。测量抽取率被发现每工作时间每在叶子在场的 andrographolide 的克关于 andrographolide 的 0.0174g。未来研究必须集中于在象超级批评二氧化碳的温度，压力，和流动率那样的各种各样的操作参数之间的相互作用。

Kinetics of Reactive Extraction of Nd from Nd2O3 with TBP-HNO3 Complex in Supercritical Carbon Dioxide

The process based on supercritical fluid extraction for reprocessing of the spent nuclear fuel has some remarkable advantages over the plutonium-uranium extraction(PUREX) process.Especially,it can minimize the generation of secondary waste.Dynamic reactive extraction of neodymium oxide(Nd2O3) in supercritical carbon dioxide(SC-CO2) containing tri-n-butyl phosphate-nitric acid(TBP-HNO3) complex was investigated.Temperature showed a positive effect on the extraction efficiency,while pressure showed a negative effect when the unsaturated TBP-HNO3 complex was employed for the dynamic reactive extraction of Nd2O3 in SC-CO2.Both temperature and pressure effects indicated that the kinetic process of the reactive extraction was controlled by the chemical reaction.A kinetic model was proposed to describe the extraction process.

Separation of Molybdenum Isotopes at Supercritical Fluid Extraction with Carbon Dioxide in a Vertical Gradient Field of Temperatures

Separation of molybdenum isotope complexes by supercritical fluid extraction (SFE) with carbon dioxide was studied experimentally. The extraction of molybdenum isotope complexes was carried out in the updated extraction chamber (reactor) of the SFE-U installation, which provided an initial pressure of P ≤ 20 MPa at constant temperatures of the upper T1 = 35°C and bottom T2 = 45°C flanges. The device, through which the eluent was discharged, involved a set of four thin tubes of different lengths located inside the reactor. The axes of the tubes and the reactor are parallel and the tubes are equally spaced circumferentially inside the reactor. The extract was removed from each tube through channels isolated from each other and located in the bottom flange with cylindrical expansion, in which several layers of filter paper were placed. After passing through the filters the extract entered a restrictor designed to remove the eluent from the reactor. The initial pressure of carbon dioxide and the holding time of the extract were specified in the experiments. The level of the eluent sampling was set by the lengths of the tubes depending on the reactor height. A method of producing molybdenum complexes was described. It was experimentally shown that at an initial pressure of 20 MPa and a given holding time a difference from the natural content of Mo isotopes for given heights of extract sampling depending on the reactor height was observed in extracts removed through filters. The ranges of deviation of the content of molybdenum isotopes in extracts from natural one were determined.

Supercritical Carbon Dioxide Extraction of Organic Matter from Petroleum Source Rocksand Its Implications

Organic matter was experimentally extracted by supercritical fiuids （CO2 +1% isopropanol） from petroleum source rocks of different thermo-maturities at different buried depths in the same stratigraphic unit in the Dongying Basin. The results show that supercritical fluid extraction （SFE） is more effective than Soxhlet extraction （SE）, with higher amounts and greater varieties of hydrocarbons and soluble organic matter becoming extractive. The supercritical CO2 extraction is therefore considered more valuable in evaluation of petroleum source rocks and oil resources, particularly those of immature types.

Supercritical Fluid Carbon Dioxide in the Extraction of Lanolin and Its Alcohol

The use of supercritical fluid carbon dioxide (SFCO2) in extraction of lanolin and its alcohol is superior to the conventional solvent extraction method. Its distinctive advantages include high extractive ratio, nontoxic and nonflammable solvents, and minimal by -product pollution. The resulting refined lanolin and its alcohol have light color and little odor, and can be used as raw materials for high grade cosmetic products.

Supercritical Equilibrium Data of the Systems Carbon Dioxide—Linalool and Carbon Dioxide—Orange Essential Oil

In this paper experimental equilibrium data on the system supercritical CO2-orange essential oil and the system supercritical CO2-linalool are reported at 323.15 K and 343.15 K, for pressures in the ranges of 7.6-13.5 MPa. The behavior of the system supercritical CO2-orange essential oil was represented by means of thermodynamic model, based on Peng-Robinson equation of state. To this aim the orange essential oil was represented by a mixture of limonene, linalool and β-caryophyllene, selected to represent the classes of monoterpenes, oxygenated terpenes and sesquiterpenes respectively. The model uses only regression parameters calculated from binary sub-systems, CO2-limonene and CO2-β-caryophyllene (taken from literature) and CO2-linalool (calculated from the fitting of original data reported in the present work) thus being predictive with respect to the multicomponent mixture.

Separation of Biomass Pyrolysis Oil by Supercritical CO2 Extraction

Supercritical CO2 extraction was employed to separate simulated and real bio-oils. Effects of extraction pressure, temperature and adsorbents on distribution coefficient (or enrichment coefficient) of five representative compounds were investigated using a simulated bio-oil, which was composed of acetic acid (AC), propanoic acid (PA), furfural (FR), acetylacetone (AA) and 2-methoxyphenol (MP). The distribution coefficients of AA, FR and MP between super-critical CO2 phase and liquid phase were bigger than 1.5, while those of AC and PA characteristic of relatively strong polarity were less than 1. Temperature and pressure also had impacts on the distribution coefficients of AA, FR and MP, especially remarkable for AA. The extraction of simulated bio-oil spiked on three adsorbents shows that adsorbents influence extraction efficiency and selectivity by changing intermolecular forces. High extraction pressure and relative low temperature are beneficial to reduce the water content in the extract. In addition, the feasibility of supercritical CO2 extraction of real bio-oil was examined. After extraction in the extraction fraction total ketones increased from 14.1% to 21.15~25.40%, phenols from 10.74% to 31.32~41.25%, and aldehydes from 1.92% to 3.95~8.46%, while the acids significantly dropped from 28.15% to 6.92~12.32%, and water from 35.90% to 6.64~4.90%. In view of extraction efficiency, the optimal extraction temperature was determined to be 55℃. Extraction efficiency of the real bio-oil increased with rising pressure. The maximal extraction efficiency of real bio-oil on water-free basis could reach to 88.6%. After scCO2 extraction, the calorific value and stability of the extract fraction evidently increased and the acidity slight decreased with nearly 100% volatility below 140℃, suggesting potentially applicable as substitute for engine fuel.

Supercritical carbon dioxide extraction of CLA-ethyl ester

Supercritical carbon dioxide(SC-CO_(2))extraction of Conjugated linoleic acid(CLA)ethyl ester was investigated at pressures in the range of 9 to 10.5 MPa and temperature gradients ranging from 0℃ to 21℃.The content of CLA-ethyl ester in the fraction was analyzed with gas chromatography(GC).The experimental results indicated that the rate of extraction would rise with the increase of pressure when temperature gradient was given.Moreover,the extraction pressure had insignificant influence on the selectivity of CLA-ethyl ester in SCCO_(2).When pressure was fixed,setting certain temperature gradient can improve the selectivity of CLA-ethyl ester in SC-CO_(2),and CLA-ethyl ester can be concentrated more effectively than without a temperature gradient.The acid value and peroxide value of the fractions were reduced obviously,compared to the raw material.The optimal condition is pressure at 10 MPa and temperature gradient at 11℃.

Essential Oil from Inula britannica Extraction with SF-CO_2 and Its Antifungal Activity

The aim of this study was to determine the extraction technique of supercritical fluid carbon dioxide（SF-CO 2） for the essential oil from Inula britannica flowers and its antifungal activities against plant pathogenic fungi for its potential application as botanical fungicide.The effects of factors,including extraction temperature,extraction pressure,SF-CO 2 flow rate,flower powder size,and time on the essential oil yield were studied using the single factor experiment.An orthogonal experiment was conducted to determine the best operating conditions for the maximum extraction oil yield.Adopting the optimum conditions,the maximum yield reached 10.01% at 40°C temperature,30 MPa pressure,60 mesh flower powder size,20 L h-1SF-CO 2 flow rate,and 90 min extraction time.The antifungal activities of I.britannica essential oil using the SF-CO 2 against the most important plant pathogenic fungi were also examined through in vitro and in vivo tests.Sixteen plant pathogenic fungi were inhibited to varying degrees at 1 mg mL-1concentration of the essential oil.The mycelial growth of Gaeumannomyces graminis var.tritici was completely inhibited.The radial growths of Phytophthora capsici and Fusarium monilifome were also inhibited by 83.76 and 64.69%,respectively.In addition,the essential oil can inhibit the spore germination of Fusarium oxysporum f.sp.vasinfectum,Phytophthora capsici,Colletotrichum orbiculare,and Pyricularia grisea,and the corresponding inhibition rates were 98.26,96.54,87.89,and 87.35% respectively.The present study has demonstrated that the essential oil of I.britannica flowers extracted through the SF-CO 2 technique is one potential and promising antifungal agent that can be used as botanical fungicide to protect crops.

The Solubility of Styrene from Polystyrene in Supercritical CO_2

The solubility of styrene from polystyrene in supercritical carbon dioxide is measuredat 323 K,333 K,and 343 K in the pressure range from 12 to 28 MPa.Based on the associationconcept and the theory of dense gas sorption in polymers,a displacement and association mechanismon supercritical fluid extraction of the monomer from the polymer is proposed.And,a novel math-ematical model for correlating the solubility data obtained from the experiments is also proposed inthe paper.

利用SFE-MD技术分离提纯玫瑰精油及其成分分析

用超临界CO2流体萃取技术（SFE）萃取平阴玫瑰浸膏,用分子蒸馏技术（MD）进行精制,所得玫瑰精油呈淡黄色,质量标准达到FCC（2004）,得率由传统水蒸气蒸馏法的0.03%提高到0.1%.超临界CO2流体萃取最佳工艺条件为：萃取压力25 MPa,温度50 ℃,CO2流量25 kg/h,萃取时间2.5 h;分子蒸馏温度为80～120 ℃;所得精油GC-MS分析,检测出63种成分,主体呈香成分为酯类物质,质量分数超过50%,相对分子质量主要集中在200～250.

机器学习在超临界二氧化碳制膜技术教学中的应用实践

[目的]探索将超临界二氧化碳(CO_(2))辅助制备金属-有机框架(MOF)膜与机器学习技术相结合的创新教学模式,以提高本科生在实验数据处理、分析和预测方面的能力。[方法]在教学过程中,学生首先使用数据提取工具从复杂的实验图表中提取CO_(2)在MOF材料上的吸附等温线数据,构建包含数据点和材料性能参数的数据集。随后,学生应用极致梯度提升(XGB)和随机森林(RF)两种机器学习算法对提取的数据集进行训练和测试,建立材料性能预测模型。[结果]数据提取工具显著提高了数据处理的效率和准确性,XGB模型在材料性能参数预测方面表现出良好的准确性和可解释性。通过这种结合数据提取和机器学习的教学模式,学生在数据处理和预测方面取得了显著进步,增强了他们的数据分析和科研能力。[结论]本工作提出的教学模式为化学工程和材料科学领域的实验数据处理和分析提供了有效的解决方案,具有较高的应用价值。

短波近红外光谱法对蛇床子SFE萃取产物的定量分析

利用中药蛇床子CO2超临界萃取（SFE）的萃取物的短波近红外漫反射光谱（800～1100 nm）,以HPLC分析值作参比值,采用化学计量学中的偏最小二乘法（PLS）建立短波近红外漫反射光谱与蛇床子SFE萃取物中主要成分蛇床子素和欧前胡素间定量分析数学模型。实现了快速、无损的测定双组分中药的有效成分。讨论了光谱的预处理方法和主成分数对PLS定量预测蛇床子萃取物中蛇床子素和欧前胡素含量能力的影响,并对预测集样品进行预测。

近红外漫反射光谱法对蛇床子SFE萃取产物的质量监控

采用近红外漫反射光谱法对中药蛇床子SFE萃取过程中主要成分蛇床子素和欧前胡素进行快速、无损检测.以HPLC分析值作参比值,采用偏最小二乘法(PLS)建立近红外光谱信息与各组分含量间的定量校正模型.讨论了波长范围的选择和主成分数对PLS定量预测蛇床子萃取物中蛇床子素和欧前胡素含量能力的影响,并对预测集样品含量进行预测,结果令人满意.

人工神经网络-近红外光谱法非破坏监控蛇床子SFE-CO_2萃取物的质量

将人工神经网络与近红外漫反射光谱相结合,对蛇床子超临界CO2萃取物中的蛇床子素和欧前胡素同时进行快速、非破坏的定量分析.分别利用萃取物的原始光谱和两种预处理光谱(一阶导数和标准归一化)建立了网络的数学校正模型,并把所得结果进行了比较,确定用一阶导数光谱所建立的模型为最佳网络模型.

SFE结合响应面法萃取紫苏废弃物中挥发油的工艺研究

目的优选紫苏废弃物中挥发油的最佳提取工艺.方法以挥发油提取率为考查指标,通过星点响应面法进行超临界二氧化碳萃取(SFE)工艺优化研究.结果紫苏废弃物中挥发油的SFE最佳萃取压力、温度和时间工艺条件分别为26 MPa、56℃和77 min.在此条件下,紫苏废弃物中挥发油提取率可达6.718%.结论采用SFE结合星点响应面法优化了紫苏废弃物中挥发油的最佳萃取工艺.本方法具有简便、精确、快速、提取率高的优点,为紫苏产品的深加工及产业化发展提供了科学依据.

基于响应曲面法的超临界CO_(2)萃取油基钻屑油相工艺优化

目的对超临界CO_(2)萃取油基钻屑中油相工艺参数进行优化。方法采用响应曲面法对影响超临界CO_(2)萃取工艺的重要参数进行具体实验并根据实验结果进行数值模拟,通过模拟得出萃取时间、压力、温度和超临界CO_(2)流量等参数的优化数据。结果响应曲面分析了各变量之间对萃取效果的影响,基于萃取数据建立了二次多项式模型,能够较好地拟合实验结果,得出最佳萃取条件为萃取压力25 MPa、温度323.15 K、时间90 min和流量25.0 L/h。结论通过具体实验数据结合响应曲面法得出了最佳萃取条件,在该条件下油类最大去除率为95.22%。利用气相色谱仪-质谱联用仪(GC-MS)分析萃取物前后性状未发生明显变化,该方法能够更好地实现固液分离和资源回收。