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Wang X.,No203 Research Institute Of Nuclear Industry
Geological Bulletin of China | Year: 2016

According to geological drilling, field desorption, and experimental sample analysis, the authors studied the reservoir-forming conditions of shale gas in Middle Jurassic strata of Yuqia area. The results show that the shale in Middle Jurassic strata of Yuqia area is a set of high-quality hydrocarbon source rocks comprising mainly braided river delta, braided river plain and lake facies. It is mainly developed in Dameigou (J2d5) and Shimengou formations. The cumulative thickness is 38~300 m, TOC is 0.12%~13.23%, Ro is 0.29%~0.89%, quartz content is 18.0%~63.3%, clay mineral content is 10.1%~55.6%, porosity is 1.53%~14.92% and permeability is 0.007×10-3~6.24×10-3 μm2. Scanning electron microscope analysis has revealed micro pores consisting mainly of intergranular pore, dissolved pore, grain pore, with pore diameter being more than 0.3~3 μm. Shale gas content is 0.42~0.83 m3/t, desorption gas CH4 content is 8.6%~64.9%, and δ13C1 is -80.59‰~-63.32‰. A comparison with domestic and foreign gas shales shows that the Middle Jurassic shale in the study area is characterized by large thickness, high TOC and medium quartz content; nevertheless, there also exists some disadvantages in the study area such as small distribution area, low maturity and low gas content in addition, the study area has experienced repeated tectonic movement since Cenozoic, which exerted a considerable impact on shale gas. For the exploration prospect of Middle Jurassic shale gas in Yuqia area, much attention should be paid to the study of tectonic preservation of shale gas and shale gas genetic types as well as resource assessment. © 2016, Science Press. All right reserved.


Jiao L.,Xi'an Shiyou University | Jiao L.,Northwest University, China | Xue Z.,No203 Research Institute Of Nuclear Industry | Wang G.,No203 Research Institute Of Nuclear Industry | And 2 more authors.
Chemometrics and Intelligent Laboratory Systems | Year: 2014

The quantitative structure property relationship (QSPR) for the relative retention time (RRT) of polybrominated diphenyl ethers (PBDEs) was investigated. Molecular distance-edge vector (MDEV) index was used as the structural descriptor of PBDEs. The quantitative relationship between the MDEV index and RRT of PBDEs was modeled by using multivariate linear regression (MLR), partial least square (PLS) and radial basis function artificial neural network (RBF-ANN) respectively. Three QSPR models, MLR model, PLS model and RBF-ANN model, were established. External validation was carried out to assess the predictive ability of the developed models. The investigated 126 PBDEs were randomly divided into two groups: a calibration set, which comprises 88 PBDEs, and a test set, which comprises 38 PBDEs. For the MLR model, the prediction RMSRE of test set is 12.58. For the PLS model, the prediction RMSRE of test set is 12.58. For the RBF-ANN model, the prediction RMSRE of test set is 8.21. It is demonstrated that the MDEV index of PBDEs is quantitatively related to the RRT of PBDEs. The developed three models are all practicable for predicting the RRT of PBDEs. Compared with the MLR and PLS models, the RBF-ANN model shows higher prediction accuracy. © 2014 Elsevier B.V.


Jiao L.,Xi'an Shiyou University | Wang X.,Xi'an Shiyou University | Bing S.,Xi'an Shiyou University | Xue Z.,No203 Research Institute Of Nuclear Industry | Li H.,Northwest University, China
Quimica Nova | Year: 2015

The quantitative structure property relationship (QSPR) for the boiling point (Tb) of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/Fs) was investigated. The molecular distance-edge vector (MDEV) index was used as the structural descriptor. The quantitative relationship between the MDEV index and Tb was modeled by using multivariate linear regression (MLR) and artificial neural network (ANN), respectively. Leave-one-out cross validation and external validation were carried out to assess the prediction performance of the models developed. For the MLR method, the prediction root mean square relative error (RMSRE) of leave-one-out cross validation and external validation was 1.77 and 1.23, respectively. For the ANN method, the prediction RMSRE of leave-one-out cross validation and external validation was 1.65 and 1.16, respectively. A quantitative relationship between the MDEV index and Tb of PCDD/Fs was demonstrated. Both MLR and ANN are practicable for modeling this relationship. The MLR model and ANN model developed can be used to predict the Tb of PCDD/Fs. Thus, the Tb of each PCDD/F was predicted by the developed models.


Jiao L.,Xi'an Shiyou University | Bing S.,Xi'an Shiyou University | Wang X.,Xi'an Shiyou University | Xue Z.,No203 Research Institute Of Nuclear Industry | Li H.,Northwest University, China
Quimica Nova | Year: 2015

The application of automated correlation optimized warping (ACOW) to the correction of retention time shift in the chromatographic fingerprints of Radix Puerariae thomsonii (RPT) was investigated. Twenty-seven samples were extracted from 9 batches of RPT products. The fingerprints of the 27 samples were established by the HPLC method. Because there is a retention time shift in the established fingerprints, the quality of these samples cannot be correctly evaluated by using similarity estimation and principal component analysis (PCA). Thus, the ACOW method was used to align these fingerprints. In the ACOW procedure, the warping parameters, which have a significant influence on the alignment result, were optimized by an automated algorithm. After correcting the retention time shift, the quality of these RPT samples was correctly evaluated by similarity estimation and PCA. It is demonstrated that ACOW is a practical method for aligning the chromatographic fingerprints of RPT. The combination of ACOW, similarity estimation, and PCA is shown to be a promising method for evaluating the quality of Traditional Chinese Medicine. Keywords: automated correlation optimized warping; chromatographic fingerprint; Radix Puerariae thomsonii; principal component analysis; similarity estimation. © 2015, BMJ. All rights reserved.


PubMed | Northwest University, China, No203 Research Institute Of Nuclear Industry and Xi'an Shiyou University
Type: | Journal: Chemistry Central journal | Year: 2014

The quantitative structure property relationship (QSPR) for octanol/air partition coefficient (K OA) of polybrominated diphenyl ethers (PBDEs) was investigated. Molecular distance-edge vector (MDEV) index was used as the structural descriptor of PBDEs. The quantitative relationship between the MDEV index and the lgK OA of PBDEs was modeled by multivariate linear regression (MLR) and artificial neural network (ANN) respectively. Leave one out cross validation and external validation was carried out to assess the predictive ability of the developed models. The investigated 22 PBDEs were randomly split into two groups: Group I, which comprises 16 PBDEs, and Group II, which comprises 6 PBDEs.The MLR model and the ANN model for predicting the K OA of PBDEs were established. For the MLR model, the prediction root mean square relative error (RMSRE) of leave one out cross validation and external validation is 2.82 and 2.95, respectively. For the L-ANN model, the prediction RMSRE of leave one out cross validation and external validation is 2.55 and 2.69, respectively.The developed MLR and ANN model are practicable and easy-to-use for predicting the K OA of PBDEs. The MDEV index of PBDEs is shown to be quantitatively related to the K OA of PBDEs. MLR and ANN are both practicable for modeling the quantitative relationship between the MDEV index and the K OA of PBDEs. The prediction accuracy of the ANN model is slightly higher than that of the MLR model. The obtained ANN model shoud be a more promising model for studying the octanol/air partition behavior of PBDEs.


Yang X.,No203 Research Institute Of Nuclear Industry | Zhang J.,No203 Research Institute Of Nuclear Industry | Cai J.-F.,No203 Research Institute Of Nuclear Industry | Wang Q.,No203 Research Institute Of Nuclear Industry
Yejin Fenxi/Metallurgical Analysis | Year: 2014

After the sample was fused with potassium hydroxide, leached by hot water and neutralized by nitric acid, boron in geological samples was determined by inductively coupled plasma-mass spectrometry(ICP-MS). The impact of sample fusion method, the amount of potassium hydroxide and the solution acidity were discussed. The result indicated that 0.1000 g of sample could be completely fused by 1.0 g of potassium hydroxide, and the impact of nitric acid in the test solution on determination could be neglected with the volume fraction of nitric acid of 2.0%. The impact of matrix effect and signal drift on the results was reduced with 11B as analysis isotope and 103Rh as internal standard. The linear scope of this method was 2.5-1250 μg/g and the detection limit was 0.52 μg/g. The method was used for determination of the certified reference materials for stream sediment, soil and rock. The results were within the tolerant error of certified value with relative standard deviations (RSD, n=10) less than 8%.


Zhao R.-Y.,Chang'an University | Zhao R.-Y.,No203 Research Institute Of Nuclear Industry | Jiang C.-Y.,Chang'an University | Jiang C.-Y.,Key laboratory of Western Chinas Mineral Resources and Geological Engineering | And 5 more authors.
Acta Geoscientica Sinica | Year: 2015

Ophiolite is one of the key topics in orogenic belt research. In this paper, based on field survey, the authors studied petrology, isotopic age and geochemistry comprehensively, and reached the conclusion that Fenshuiling ophiolite in Danfeng area of Eastern Qinling Mountains is SSZ type ophiolite related to the subduction zone. Metabasalt of ophiolite is a kind of hyalobasalt formed in the fore-arc setting and possesses the following geochemical features in comparison with bonite: its SiO2 content is a little lower, MgO (9.24%~18.74%) and Mg#(74~85) values are higher, and TiO2 (0.15%~0.38%) values are much lower. Its chondrite-normalized REE patterns are of "U" type, compatible elements Ni, Cr are higher, and HFSE Y, V, Zr, Yb values are relatively lower. The LA-ICP-MS zircon U-Pb age of metagabbro ndi**** cates that Fenshuiling ophiolite was formed at (499.7±6.1) Ma or so. The existence of hyalobasalt suggests that the paleo-Shangdan oceanic crust subducted northwards strongly, and SSZ type ophiolite was formed in the fore-arc setting between the subduction zone and the southern edge of the Northern Qinling block. The results achieved by the authors further complete the understanding of the evolution of the Qinling orogenic belt. ©, 2015, Science Press. All right reserved.

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