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Phase equilibrium data prediction and process optimizationin butadiene extraction process
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作者 Baowei Niu Yanjie Yi +5 位作者 Yuwen Wei Fuzhen Zhang Lili Wang Li Xia Xiaoyan Sun Shuguang Xiang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第7期1-12,共12页
In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene p... In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by acetonitrile.The accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium data.The results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing system.COSMO-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS method.The predicted phase equilibrium data were checked for consistency.The NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium data.Industrial device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction process.The simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its database.The average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and reliable.The best phase equilibrium data and thermodynamic model parameters for butadiene extraction are provided.This improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process. 展开更多
关键词 Butadiene extraction phase equilibrium data Prediction methods Thermodynamic modeling Process simulation
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Phase equilibrium modelling of the amphibolite facies metamorphism in the Yelapa-Chimo Metamorphic Complex, Mexico
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作者 Fabian Gutierrez-Aguilar Peter Schaaf +3 位作者 Gabriela Solís-Pichardo Gerardo F.Arrieta-García Teodoro Hernandez-Trevino Carlos Linares-Lopez 《Geoscience Frontiers》 SCIE CAS CSCD 2021年第1期293-312,共20页
The Yelapa-Chimo Metamorphic Complex forms part of the Jalisco Block in western Mexico and exposes a wide range of Early Cretaceous metamorphic rocks;such as paragneiss,orthogneiss,amphibolites,and migmatites.However,... The Yelapa-Chimo Metamorphic Complex forms part of the Jalisco Block in western Mexico and exposes a wide range of Early Cretaceous metamorphic rocks;such as paragneiss,orthogneiss,amphibolites,and migmatites.However,the pressure-temperature(P-T)conditions of metamorphism and partial melting remain poorly studied in the region.To elucidate metamorphic P-T conditions,phase equilibrium modelling was applied to two sillimanite-garnet paragneisses,one amphibole-orthogneiss,and one amphibolite.Sillimanite-garnet paragneisses exhibit a lepidoblastic texture with a biotite+sillimanite+kyanite+garnet+quartz+plagioclase+K-feldspar mineral assemblage.Amphibole-orthogneiss and amphibolite display a nematoblastic texture with an amphibole+(1)plagioclase+quartz+(1)titanite assemblage and an amphibole+(2)plagioclase+(2)titanite+ilmenite retrograde mineral assemblage.Pseudosections calculated for the two sillimanite-garnet paragneiss samples show P-T peak conditions at~6-7.5 kbar and~725-740℃.The results for amphibole-orthogneiss and the amphibolite yield P-T peak conditions at~8.5-10 kbar and~690-710℃.The mode models imply that metasedimentary and metaigneous units can produce up to~20 vol%and~10 vol%of melt,respectively.Modelling within a closed system during isobaric heating suggests that melt compositions of metasedimentary and metaigneous units are likely to have direct implications for the petrogenesis of the Puerto Vallarta Batholith.Our new data indicate that the Yelapa-Chimo Metamorphic Complex evolved through a metamorphic gradient between~23-33℃km^-1and the metamorphic rocks formed at depths between~22 km and~30 km with a burial rate of~2.0 km Ma^-1.Finally,the P-T data for both metasedimentary and metaigneous rocks provide new constraints on an accretionary framework,which is responsible for generating metamorphism and partial melting in the YelapaChimo Metamorphic Complex during the Early Cretaceous. 展开更多
关键词 phase equilibrium modelling Yelapa-Chimo Metamorphic Complex Amphibolite facies Partial melting
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Prediction of shear bands in sand based on granular flow model and two-phase equilibrium
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作者 张义同 齐德瑄 +1 位作者 杜如虚 任述光 《Journal of Central South University》 SCIE EI CAS 2008年第S1期316-321,共6页
In contrast to the traditional interpretation of shear bands in sand as a bifurcation problem in continuum mechanics,shear bands in sand are considered as high-strain phase(plastic phase) of sand and the materials out... In contrast to the traditional interpretation of shear bands in sand as a bifurcation problem in continuum mechanics,shear bands in sand are considered as high-strain phase(plastic phase) of sand and the materials outside the bands are still in low-strain phase(elastic phase),namely,the two phases of sand can coexist under certain condition.As a one-dimensional example,the results show that,for materials with strain-softening behavior,the two-phase solution is a stable branch of solutions,but the method to find two-phase solutions is very different from the one for bifurcation analysis.The theory of multi-phase equilibrium and the slow plastic flow model are applied to predict the formation and patterns of shear bands in sand specimens,discontinuity of deformation gradient and stress across interfaces between shear bands and other regions is considered,the continuity of displacements and traction across interfaces is imposed,and the Maxwell relation is satisfied.The governing equations are deduced.The critical stress for the formation of a shear band,both the stresses and strains inside the band and outside the band,and the inclination angle of the band can all be predicted.The predicted results are consistent with experimental measurements. 展开更多
关键词 strain localization locally-deformed BANDS shear BANDS TWO-phase equilibrium GRANULAR model of SAND
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Phase Equilibrium of Isobutanol in Supercritical CO2 被引量:5
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作者 王琳 郝小松 +1 位作者 郑岚 陈开勋 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2009年第4期642-647,共6页
Vapor-liquid phase equilibrium data including composition,densities,molar volume and equilibrium constant of isobutanol in supercritical carbon dioxide from 313.2K to 353.2K were measured in a variable-volume visual c... Vapor-liquid phase equilibrium data including composition,densities,molar volume and equilibrium constant of isobutanol in supercritical carbon dioxide from 313.2K to 353.2K were measured in a variable-volume visual cell.The properties of critical point were obtained by extrapolation.The results showed that critical temperature,critical pressure and critical compressibility factor of CO2-isobutanol system decreased with the increase of critical CO2 content.The phase equilibrium model was established by Peng-Robinson equation of state and van der Waals-2 mixing regulation,and model parameters were determined by optimization calculation of nonlinear least square method.The correlation between calculated values and the experimental data showed good agreement. 展开更多
关键词 supercritical carbon dioxide ISOBUTANOL phase equilibrium model critical property
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Deviation of Carbon Dioxide-Water Gas-Liquid Balance from Thermodynamic Equilibrium in Turbulence h Experiment and Correlation 被引量:2
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作者 张珍稹 钱智 +2 位作者 徐联滨 吴彩艳 郭锴 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2013年第7期770-775,共6页
The carbon dioxide-water system was used to investigate the flowing gas-liquid metastable state. The experiment was carded out in a constant volume vessel with a horizontal circulation pipe and a peristaltic pump forc... The carbon dioxide-water system was used to investigate the flowing gas-liquid metastable state. The experiment was carded out in a constant volume vessel with a horizontal circulation pipe and a peristaltic pump forced CO2 saturated water to flow. The temperature and pressure were recorded. The results showed that some CO2 escaped from the water in the flow process and the pressure increased, indicating that the gas-liquid equilibrium was broken. The amount of escaped CO2 varied with flow speed and reached a limit in a few minutes, entitled dy- namic equilibrium. Temperature and liquid movement played the same important role in breaking the phase equilib- rium. Under the experimental conditions, the ratio of the excessive carbon dioxide in the gas phase to its thermody- namic equilibrium amount in the liquid could achieve 15%. 展开更多
关键词 carbon dioxide TURBULENCE DESORPTION dynamic gas-liquid phase equilibrium
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STUDY OF THE EQUILIBRIUM HCP CRYSTAL SHAPE BY THE ISING MODEL
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作者 吴银忠 王养璞 《苏州大学学报(自然科学版)》 CAS 1993年第2期144-149,共6页
The Isin g model is used to investigate (0001), (10^-10), (10^-11) interfaces, etc. , for the hcp lattice. The system studied here have the nearest-neighbor (NN) and next-nearest-neighbor (NNN) pair interactions. The ... The Isin g model is used to investigate (0001), (10^-10), (10^-11) interfaces, etc. , for the hcp lattice. The system studied here have the nearest-neighbor (NN) and next-nearest-neighbor (NNN) pair interactions. The interface energy, interface phase transition at zero temperature and roughening temperature are used to analyse the properties of these interfaces. As a special case of the hcp crystals, we give the equilibrium shape of the He crystal at T=OK. 展开更多
关键词 HCP晶体试验 ISING模型 界面相转移 平衡态 表面性能
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柴北缘欧龙布鲁克地块中元古代晚期麻粒岩相变质作用——来自石榴夕线堇青石片麻岩的岩石学、相平衡模拟和U-Pb年代学的制约
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作者 毛小红 路增龙 +2 位作者 张建新 郭祺 武亚威 《岩石矿物学杂志》 CAS CSCD 北大核心 2024年第2期219-237,共19页
在欧龙布鲁克地块乌兰北部地区察汗河岩群中识别出麻粒岩相石榴夕线堇青石片麻岩,其矿物组合为石榴子石、夕线石、堇青石、黑云母、斜长石、钛铁矿和少量钾长石等。岩相学观察显示,M1阶段矿物组合有斜长石±钾长石+石榴子石+夕线石... 在欧龙布鲁克地块乌兰北部地区察汗河岩群中识别出麻粒岩相石榴夕线堇青石片麻岩,其矿物组合为石榴子石、夕线石、堇青石、黑云母、斜长石、钛铁矿和少量钾长石等。岩相学观察显示,M1阶段矿物组合有斜长石±钾长石+石榴子石+夕线石+石英,M2阶段矿物组合有斜长石±钾长石+石榴子石+夕线石+石英+钛铁矿+黑云母,M3阶段矿物组合有堇青石+黑云母+钛铁矿+石英+石榴子石+斜长石±钾长石。相平衡模拟计算结果显示,该岩石的峰期温压条件为p=0.92~1.08 GPa,峰期温度t>790℃,峰期之后经历升温降压的p-T演化轨迹。锆石和独居石LA-ICP-MS U-Pb年代学研究获得的变质年龄分别为1133±14 Ma和1125±37 Ma,1133~1125 Ma应代表了该期麻粒岩相变质作用的时代。结合区域地质资料和已有的研究成果,我们认为乌兰北部察汗河岩群的石榴夕线堇青石片麻岩可能形成于大洋俯冲作用下的弧或弧后构造环境,乌兰北部的岩浆-变质杂岩带经历了从中元古代晚期-新元古代早期俯冲增生到碰撞造山的演化过程,是全球Rodinia超大陆汇聚过程的响应。 展开更多
关键词 欧龙布鲁克地块 石榴夕线堇青石片麻岩 麻粒岩相 RODINIA超大陆 相平衡模拟
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基于PR—Henry改进模型的酸性天然气——地层水体系及其相平衡特征分析
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作者 杨宇 王建猛 +3 位作者 张骞 刘建国 刘荣和 江良伟 《天然气工业》 EI CAS CSCD 北大核心 2024年第6期64-73,共10页
准确表征酸性天然气—地层水体系的相平衡规律,对于天然气开发过程中的水溶气量和凝析水量分析具有重要意义,但目前常用的PR状态方程与Henry定律等理论对酸性天然气—地层水体系的相平衡研究还存在不适用的问题。为进一步考虑酸性气体... 准确表征酸性天然气—地层水体系的相平衡规律,对于天然气开发过程中的水溶气量和凝析水量分析具有重要意义,但目前常用的PR状态方程与Henry定律等理论对酸性天然气—地层水体系的相平衡研究还存在不适用的问题。为进一步考虑酸性气体和地层水矿化度对体系相平衡的影响,改进并提高对天然气溶解度和饱和含水量的计算精度,在PR状态方程与Henry定律相结合建立的PR—Henry模型基础上,考虑了溶解盐对体系相平衡的影响,采用定标粒子理论(SPT)修正了Henry常数,建立了改进的PR—Henry模型,最后分析了天然气组成、压力、温度和盐水含盐量对天然气溶解量和饱和含水量的影响。研究结果表明:(1)模型计算结果与实测资料对比,平均相对偏差分别为5.3%和4.55%,表明该模型能够应用于不同温度、压力和组成的酸性天然气-地层水体系的相平衡计算;(2)天然气在地层水中的溶解量受天然气组成、温度、压力和地层水含盐量的影响;(3)天然气饱和含水量受温度和压力影响十分明显。结论认为,改进的PR—Henry模型为天然气开采过程评价和CO_(2)埋存溶解量计算提供了一种有效的方法,对于评估天然气可采储量及开发特征具有重要的参考意义。 展开更多
关键词 酸性天然气 相平衡计算 PR—Henry模型 定标粒子理论 影响因素
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含杂质CO_(2)混合体系的气液相平衡计算模型
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作者 秦锋 蔡子璇 +4 位作者 明红芳 张帆 何梓睿 朱晨阳 李大树 《油气与新能源》 2024年第5期87-96,共10页
对含杂质CO_(2)体系相平衡的准确表征是CCUS(碳捕集、利用与封存)应用中的关键。为探讨针对此类体系相平衡计算的最佳热力学模型,基于CO_(2)/N_(2)、CO_(2)/O_(2)与CO_(2)/H_(2)O等3种二元混合工质的气液相平衡数据,分别使用状态方程(PR... 对含杂质CO_(2)体系相平衡的准确表征是CCUS(碳捕集、利用与封存)应用中的关键。为探讨针对此类体系相平衡计算的最佳热力学模型,基于CO_(2)/N_(2)、CO_(2)/O_(2)与CO_(2)/H_(2)O等3种二元混合工质的气液相平衡数据,分别使用状态方程(PR、SRK、BWRS、CPA、GERG-2008)和活度系数模型(NRTL、UNIQUAC)进行了气液闪蒸计算。结果表明,针对含杂质CO_(2)二元混合体系,CPA方程具有最高的计算精度,其结果与实验值的平均偏差仅为4.75%。随后,采用CPA方程对CO_(2)/N_(2)、CO_(2)/N_(2)/O_(2)和CO_(2)/N_(2)/O_(2)/H_(2)O等混合物的相包络线进行了预测,其对泡点、露点压力的计算与NIST(美国国家标准与技术研究院)方法计算结果的平均偏差小于3.5%,表明了CPA方程可作为一种简单且准确的含杂质CO_(2)混合体系相平衡计算方法。 展开更多
关键词 含杂质CO_(2) 相平衡 活度系数模型 状态方程
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Application of molecular interaction volume model in separation of Pb-Sn-Sb ternary alloy by vacuum distillation 被引量:3
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作者 孔令鑫 杨斌 +4 位作者 徐宝强 李一夫 李亮 刘大春 戴永年 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2013年第8期2408-2415,共8页
Based on the molecular interaction volume model (MIVM), the activities of components of Pb Sn Sb ternary alloy were predicted. The vapo^liquid phase equilibrium of Pb-Sn-Sb alloy system was calculated using the acti... Based on the molecular interaction volume model (MIVM), the activities of components of Pb Sn Sb ternary alloy were predicted. The vapo^liquid phase equilibrium of Pb-Sn-Sb alloy system was calculated using the activity coefficients of Pb Sn-Sb alloy system in the process of vacuum distillation. The calculated results show that the content of Sn in vapor phase increases with the increasing distillation temperature and content of Sn in liquid phase. However, the content of Sn in vapor phase is only 0.45% (mass fraction) while 97% in liquid phase at 1100 ℃, which shows that the separating effect is very well. Experimental investigations on the separation of Pb-Sn-Sb ternary alloy were carried out in the distillation temperature range of 1100-1300 ℃ under vacuum condition. It is found that the Sn content in vapor phase is 0.54% while 97% in liquid phase at 1100 ℃. Finally, the predicted data were compared with the experimental results showing good agreement with each other. 展开更多
关键词 molecular interaction volume model vacuum distillation Pb-Sn-Sb alloy phase equilibrium
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甲烷-水合物两相平衡体系气相水含量研究
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作者 徐振 戴泽利 +3 位作者 王逸伟 孙强 陈建义 郭绪强 《低碳化学与化工》 CAS 北大核心 2024年第1期113-118,共6页
天然气中的微量气态水在天然气开采、集输过程中可能与气体小分子形成水合物,造成管路堵塞,因此需要对天然气进行脱水处理。为了合理设计天然气最大容许水含量参数,准确测量和计算天然气-水合物相平衡时的气相水含量具有重要意义。在压... 天然气中的微量气态水在天然气开采、集输过程中可能与气体小分子形成水合物,造成管路堵塞,因此需要对天然气进行脱水处理。为了合理设计天然气最大容许水含量参数,准确测量和计算天然气-水合物相平衡时的气相水含量具有重要意义。在压力为3.44~6.00 MPa、温度为270.00~274.00 K的条件下,通过实验测量和模型预测研究了甲烷-水合物相平衡时的气相水含量。结果表明,相比于压力露点,常压露点和气相水含量体积比随温度和压力的变化都具有规律性,气相水含量随温度的降低和压力的升高而减小。在实验的基础上,基于热力学相平衡理论建立了甲烷-水合物相平衡时的气相水含量热力学模型,气相水含量体积比的模型预测值与实验值的平均相对偏差为2.33%。该实验方法实现了甲烷-水合物相平衡体系气相水含量的原位测量,建立的热力学模型相比于通过查图获得的甲烷-液态水相平衡时的饱和水含量再外推至水合物区的方法更快速和准确。 展开更多
关键词 水合物 甲烷 相平衡 气相水含量 热力学模型
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东南极米洛半岛尖晶石-堇青石麻粒岩变质作用与年代学研究
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作者 刘昕淑 王伟 +4 位作者 保红 龚庭楠 湛礼卿 刘晓春 赵越 《地质力学学报》 CSCD 北大核心 2024年第3期487-505,共19页
东南极普里兹构造带被认为受到格林维尔期及泛非期两期构造热事件的影响,分别与罗迪尼亚和冈瓦纳超大陆的演化密切相关,但对两期构造热事件的性质还存在争议。为了进一步完善该构造带的演化历史,从矿物学、岩石学、相平衡模拟、锆石年... 东南极普里兹构造带被认为受到格林维尔期及泛非期两期构造热事件的影响,分别与罗迪尼亚和冈瓦纳超大陆的演化密切相关,但对两期构造热事件的性质还存在争议。为了进一步完善该构造带的演化历史,从矿物学、岩石学、相平衡模拟、锆石年代学等角度对普里兹构造带米洛半岛尖晶石-堇青石麻粒岩进行了研究。结果表明其主期矿物组合为尖晶石+堇青石+黑云母+矽线石+少量石榴子石+钾长石+钛铁矿,温压条件为870~910℃、0.64~0.69 GPa,晚期退变至810~820℃、0.49~0.53 GPa,并暗示了更高的峰期变质条件(T>910℃,P>0.69 GPa)。CL图像显示锆石具有明显的核-幔-边结构,LA-ICP-MS锆石U–Pb年代学分析显示核部年龄主要集中在613±7 Ma到877±9 Ma,最大值916±11 Ma,比典型的格林维尔期年龄年轻。锆石边部加权平均年龄为526±8 Ma,其Th/U比值范围较大(0.06~1.23),多数Th/U比值较高(>0.1),应代表峰后冷却结晶阶段。尖晶石-堇青石麻粒岩记录了中低压/高温—超高温的变质条件,结合区域已有资料,可能具有顺时针轨迹,其变质演化历史可能反映了碰撞造山之后的伸展阶段,推测与冈瓦纳超大陆的聚合过程有关。 展开更多
关键词 东南极 尖晶石-堇青石麻粒岩 P-T轨迹 高温—超高温变质 相平衡模拟
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离子液体萃取分离FCC柴油中双环芳香性硫氮组分:实验和分子机理
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作者 蒋斯麒 胡玉峰 +2 位作者 程永强 刘清华 雷志刚 《化工学报》 EI CSCD 北大核心 2024年第10期3651-3659,F0004,共10页
萃取技术可以作为加氢脱硫脱氮工艺的重要补充用于分离油品中芳香性硫氮组分。在分子尺度和实验尺度对离子液体萃取分离苯并噻吩和喹啉进行探讨,利用COSMO-RS模型从37种常见离子液体中确定1-乙基-3-甲基咪唑双氰胺盐([EMIM][DCA])为最... 萃取技术可以作为加氢脱硫脱氮工艺的重要补充用于分离油品中芳香性硫氮组分。在分子尺度和实验尺度对离子液体萃取分离苯并噻吩和喹啉进行探讨,利用COSMO-RS模型从37种常见离子液体中确定1-乙基-3-甲基咪唑双氰胺盐([EMIM][DCA])为最佳离子液体萃取剂。通过液液相平衡实验证明了[EMIM][DCA]萃取分离苯并噻吩和喹啉的可行性,再生实验表明所选离子液体在5次循环中萃取性能始终保持稳定。在分子尺度揭示了萃取过程的分离机理,分子动力学模拟和量子化学计算结果表明离子液体与苯并噻吩/喹啉之间形成的π-π相互作用和C—H…N氢键相互作用是离子液体高效分离苯并噻吩和喹啉的主要作用力。研究结果可为新型高效萃取剂设计提供理论指导。 展开更多
关键词 萃取脱硫脱氮 离子液体 相平衡 分子模拟 量子化学计算 COSMO-RS模型
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斑岩铜矿蚀变分带与成矿机制:玉龙矿床水-岩反应热力学平衡模拟例析
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作者 张少颖 和文言 +2 位作者 高雪 田成华 肖仪武 《岩石学报》 SCIE EI CAS CSCD 北大核心 2024年第6期1837-1852,共16页
蚀变分带和成矿机制的准确厘定是建立斑岩成矿模型与找矿预测的关键。本文以新生代金沙江-哀牢山成矿带的玉龙斑岩铜矿为例,通过质量作用定律(LMA)和吉布斯自由能最小化模型(GEM),构建含矿热液与斑岩侵入体的pH-f O 2相图和动态传输模型... 蚀变分带和成矿机制的准确厘定是建立斑岩成矿模型与找矿预测的关键。本文以新生代金沙江-哀牢山成矿带的玉龙斑岩铜矿为例,通过质量作用定律(LMA)和吉布斯自由能最小化模型(GEM),构建含矿热液与斑岩侵入体的pH-f O 2相图和动态传输模型,以揭示蚀变分带成因和金属成矿机制。LMA与GEM结果显示初始成矿流体pH值为4.7,logf_(O2)=-23.0(ΔFMQ=+2.7),且溶解Cu含量为1138×10^(-6),Mo为1.2×10^(-6)。研究表明,当该酸性及强氧化性流体流入二长花岗斑岩体时,在温度为450~360℃范围内,代表钾硅酸盐化蚀变的钾长石、黑云母、硬石膏、赤铁矿和磁铁矿的矿物逐渐沉淀,且与钾硅酸盐化蚀变相关流体具有较高pH值(5.0~7.0)和氧逸度(ΔFMQ=+2.9~+3.6)特征;当温度在360~320℃范围时,代表青磐岩化蚀变阶段的典型矿物如绿帘石、铁绿泥石和斜绿泥石等逐渐形成,流体pH值(5.0~6.4)和氧逸度(ΔFMQ=+1.1)均有所下降;当温度进一步从320℃下降到200℃时,流体pH值(5.0~5.7)进一步小幅下降,而氧逸度则(ΔFMQ=+1.7)略有回升,在此期间,绢云母和方解石等开始沉淀并形成典型的绢英岩化蚀变。此外,以HMoO_(4)^(-)和MoO_(4)^(2-)为载体的Mo在狭窄高温区间(450~370℃)内沉淀,而以CuCl(CuCl_(4)^(3-)、CuCl_(2)^(-)、CuCl)为主要载体的Cu则在在中、高温(450~300℃)范围中沉淀。通过利用LMA反演及GEM正演相结合定量化地刻画了玉龙斑岩铜矿水岩反应过程,由此揭示了斑岩矿床蚀变分带是逐渐冷却的单一岩浆热液与斑岩体不断反应的结果,且不同温度窗口对应着钾硅酸盐化(450~360℃)、青磐岩化(360~320℃)和绢英岩化(320~200℃)蚀变矿物的形成,故含矿流体温度的快速下降可能是玉龙铜矿蚀变叠加的重要因素。此外,Cu、Mo络合离子溶解度对温度变化的差异响应,导致了Mo矿化主要发育于靠近斑岩体的高温区域,而Cu则以网脉状-浸染状叠加到Mo矿化之上,并广泛分布于斑岩体周边的高-中温区域。 展开更多
关键词 水岩反应 热力学平衡模拟 玉龙斑岩铜矿 pH-f O 2相图 动态传输模型
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大别山晓天—磨子潭断裂附近退变榴辉岩的厘定及其时代和大地构造意义
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作者 刘琦 刘贻灿 杨阳 《地质论评》 CAS CSCD 北大核心 2024年第S01期5-6,共2页
研究区位于大别造山带晓天—磨子潭断裂附近(图1)。晓天—磨子潭断裂是北大别杂岩带和北淮阳带之间的边界断裂,部分研究者认为该断裂带为华北板块和扬子板块之间的缝合线以及大别山超高压变质岩折返的重要边界(Faure et al.,1999;徐树桐... 研究区位于大别造山带晓天—磨子潭断裂附近(图1)。晓天—磨子潭断裂是北大别杂岩带和北淮阳带之间的边界断裂,部分研究者认为该断裂带为华北板块和扬子板块之间的缝合线以及大别山超高压变质岩折返的重要边界(Faure et al.,1999;徐树桐等,2002),但对此仍存在较大争议。 展开更多
关键词 榴辉岩 超高压变质 相平衡模拟 地壳俯冲—折返 大别山
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跨临界CO_(2)两相引射器喷嘴扩张段传热的影响分析
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作者 冯义博 何阳 邓建强 《制冷学报》 CAS CSCD 北大核心 2024年第3期72-80,共9页
跨临界CO_(2)引射器主动流入口状态对引射器性能具有显著影响,主动喷嘴壁面传热会改变主动流状态,其对引射器性能的影响有待研究。基于均质平衡模型假设,构建了跨临界CO_(2)两相引射器的CFD模型,模拟研究了喷嘴扩张段传热对引射器性能... 跨临界CO_(2)引射器主动流入口状态对引射器性能具有显著影响,主动喷嘴壁面传热会改变主动流状态,其对引射器性能的影响有待研究。基于均质平衡模型假设,构建了跨临界CO_(2)两相引射器的CFD模型,模拟研究了喷嘴扩张段传热对引射器性能和流场结构的影响,并分析了对冷凝器出口分流引射膨胀制冷系统性能的影响。研究结果表明:引射器引射系数随喷嘴扩张段热流密度和喷嘴扩张段长度的增大而增大,但在适用热流密度(小于120 kW/m^(2))下并不明显,引射系数变化范围在1%以内,其影响可以忽略不计;喷嘴扩张段传热对引射器内部流场的影响较小,喷嘴扩张段内流体温度略有升高,引射器出口干度略有增加,喷嘴出口和混合室内混合流的马赫数也略有增加;对于冷凝器出口分流引射膨胀制冷系统,利用引射器壁面传热可以过冷流体,系统COP显著提高,COP最大提升比例为8.89%。总体而言,对引射器主动喷嘴扩张段加热,对引射器性能影响甚微,但对冷凝器出口分流引射膨胀制冷系统的性能有较明显的提高。 展开更多
关键词 两相引射器 均质平衡模型 传热 制冷系统 CO_(2)
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喂子坪秦岭杂岩麻粒岩相变沉积岩的变质作用p-T演化及其构造意义
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作者 刘学锋 苟龙龙 +2 位作者 田智博 周峰 马椰婷 《岩石矿物学杂志》 CAS CSCD 北大核心 2024年第2期274-303,共30页
秦岭杂岩位于秦岭造山带北秦岭构造带,是研究秦岭造山带早古生代构造演化的重要岩石构造单元。喂子坪地区发育有典型的秦岭杂岩,其中的混合岩是由变沉积岩经历了强烈的深熔作用形成的。本研究对其进行了岩相学、变质相平衡模拟和LA-ICP... 秦岭杂岩位于秦岭造山带北秦岭构造带,是研究秦岭造山带早古生代构造演化的重要岩石构造单元。喂子坪地区发育有典型的秦岭杂岩,其中的混合岩是由变沉积岩经历了强烈的深熔作用形成的。本研究对其进行了岩相学、变质相平衡模拟和LA-ICP-MS锆石U-Pb年代学研究,以深入揭示它们的变质温压演化特征,进而阐明它们指示的构造意义。混合岩的中色体由含石榴子石角闪黑云斜长片麻岩和含石榴子石黑云角闪斜长片麻岩组成。含石榴子石角闪黑云斜长片麻岩只记录了峰期变质矿物组合,为镁铁闪石+石榴子石+斜长石+石英+黑云母+钛铁矿+熔体,而含石榴子石黑云角闪斜长片麻岩记录了3个变质演化阶段,分别是早期进变质阶段(M1):黑云母+斜长石+石英;峰期变质阶段(M2):镁铁闪石+石榴子石+斜长石+石英+黑云母+钛铁矿+熔体;退变质阶段(M3):普通角闪石+斜长石+黑云母+石英+熔体。全岩成分视剖面图模拟计算显示含石榴子石角闪黑云斜长片麻岩和含石榴子石黑云角闪斜长片麻岩压力峰期的变质温压条件分别为790~810℃/990~1040 MPa和840~862℃/1000~1190 MPa。含石榴子石黑云角闪斜长片麻岩3组局部矿物组合域成分视剖面图模拟计算得到压力峰期后变质阶段的温压条件为735~814℃/400~810 MPa、721~794℃/430~700 MPa、740~810℃/470~780 MPa。因此,本研究揭示了喂子坪地区秦岭杂岩片麻岩记录了近等温降压的p-T轨迹。LA-ICP-MS锆石U-Pb定年得到含石榴子石角闪黑云斜长片麻岩和2个浅色体样品中的变质锆石206Pb/238U加权平均年龄分别为383.2±7.0 Ma、400±3.6 Ma和406.7±7.8 Ma。结合已发表的数据,喂子坪地区变沉积岩麻粒岩相峰期变质作用和强烈的混合岩化作用的时代约为410~390 Ma,而约380 Ma的年龄可能代表退变质冷却到固相线的时代。片麻岩近等温降压的变质演化轨迹指示喂子坪地区秦岭杂岩的变沉积岩在下地壳经历了麻粒岩相变质作用和随后的快速抬升,与碰撞造山引起的地壳增厚和随后的地壳伸展有关。 展开更多
关键词 秦岭造山带 秦岭杂岩 深熔作用 相平衡模拟 近等温降压p-T轨迹
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NaF-Na_(3)PO_(4)-H_(2)O体系相图与热力学模型 被引量:1
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作者 常静宇 周桓 +3 位作者 杨洁 郝晴 赵鋆 李杰 《天津科技大学学报》 CAS 2024年第1期30-41,共12页
NaF–Na_(3)PO_(4)–H_(2)O体系是稀土矿物加工的典型盐水体系,开发氟、磷回收工艺需要该体系的相图和热力学模型支持。利用等温溶解平衡法测定了273.15 K、298.15 K、323.15 K和348.15 K的固液相平衡数据,并基于eNRTL模型框架构建了该... NaF–Na_(3)PO_(4)–H_(2)O体系是稀土矿物加工的典型盐水体系,开发氟、磷回收工艺需要该体系的相图和热力学模型支持。利用等温溶解平衡法测定了273.15 K、298.15 K、323.15 K和348.15 K的固液相平衡数据,并基于eNRTL模型框架构建了该体系从最低共熔点到348.15 K的热力学模型。实验结果表明:NaF–Na_(3)PO_(4)–H_(2)O体系存在NaF、Na_(3)PO_(4)·12H_(2)O、Na_(3)PO_(4)·8H_(2)O和复盐NaF·2Na_(3)PO_(4)·19H_(2)O 4个固相物种;其中复盐在各温度均占据三元体系的主要相区,磷酸钠水合物的相区极窄,很难单独成盐,NaF相区相对较大并随温度升高而增大。热力学模型研究较好地表达了NaF–H_(2)O、Na_(3)PO_(4)–H_(2)O体系的多温离子活度系数、溶液渗透系数、二元体系相图,获得了盐水作用参数和6个固相的热力学数据;通过对三元体系多温相图数据的有效表达,获得了盐-盐作用参数和复盐的热力学数据,在此基础上推测了NaF–Na_(3)PO_(4)–H_(2)O体系相图结构,获得了难以实验测定的9个零变量点和9条单变量共饱和线,从而得到了全部固相的平衡相区,并给出了NaF–Na_(3)PO_(4)–H_(2)O体系完整相图,为更复杂体系的热力学表达以及工业应用提供了参考依据。 展开更多
关键词 相平衡 相图 热力学模型 NaF–Na_(3)PO_(4)–H_(2)O
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Metamorphic P-T conditions and ages of garnet-biotite schists in the Dahongshan Group from the southwestern Yangtze Block
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作者 Jun-xiao Ma Guang-shu Yang +5 位作者 Yong-feng Yan Xiao-Fei Xu Yun-hua Ren Hui Zhao Xiao-jun Zheng Yuan Qin 《Acta Geochimica》 EI CAS CSCD 2024年第4期707-718,共12页
The Dahongshan Group,situated at the southwestern margin of the Yangtze Block,represents a geological unit characterized by relatively high-grade metamorphism in the region.This paper investigates the garnet-biotite s... The Dahongshan Group,situated at the southwestern margin of the Yangtze Block,represents a geological unit characterized by relatively high-grade metamorphism in the region.This paper investigates the garnet-biotite schist from the Laochanghe Formation of the Dahongshan Group,employing an integrated approach that includes petrological analysis,phase equilibrium modeling,and zircon U-Pb dating.The schist is mainly composed of garnet,biotite,plagioclase,quartz,rutile,and ilmenite.Phase equilibrium modeling revealed the peak metamorphic conditions of 8-9 kbar and 635-675°C.By further integrating the prograde metamorphic profile of garnet and geothermobarometric results,a clockwise P-T metamorphic evolution path is constructed,which includes an increase in temperature and pressure during the prograde stage.LA-ICP-MS zircon U-Pb dating and zircon Ti thermometry constrains the post-peak metamorphic age of 831.2±7.2 Ma.Integrated with previously reported results,it is revealed that the southwestern margin of the Yangtze Block experienced a large-scale regional metamorphism during the Neoproterozoic(890-750 Ma),which is related to the collisional orogenic process.This may be associated with the late-stage assembly of the Rodinia supercontinent or with local compression and subduction processes during the breakup of the Rodinia supercontinent. 展开更多
关键词 Southwestern Yangtze Block Dahongshan Group phase equilibrium modeling Zircon U-Pb dating Neoproterozoic metamorphism
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Solubility of iron(Ⅲ) and nickel(Ⅱ) acetylacetonates in supercritical carbon dioxide
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作者 Haixin Sun Jianlei Qi +4 位作者 Jianfei Sun Lin Li Kunpeng Yu Jintao Wu Jianzhong Yin 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第1期29-34,共6页
As a common precursor for supercritical CO_(2)(scCO_(2))deposition techniques,solubility data of organometallic complexes in scCO_(2)is crucial for the preparation of nanocomposites.Recently,metal acetylacetonates hav... As a common precursor for supercritical CO_(2)(scCO_(2))deposition techniques,solubility data of organometallic complexes in scCO_(2)is crucial for the preparation of nanocomposites.Recently,metal acetylacetonates have shown great potential for the preparation of single-atom catalytic materials.In this study,the solubilities of iron(Ⅲ)acetylacetonate(Fe(acac)3)and nickel(Ⅱ)acetylacetonate(Ni(acac)2)were measured at the temperature from 313.15 to 333.15 K and in the pressure range of 9.5–25.2 MPa to accumulate new solubility data.Solubility was measured using a static weight loss method.The semi-empirical models proposed by Chrastil and Sung et al.were used to correlate the solubility data of Fe(acac)3 and Ni(acac)2.The equations obtained can be used to predict the solubility of the same system in the experimental range. 展开更多
关键词 Iron(III)acetylacetonate Nickel(II)acetylacetonate Supercritical carbon dioxide Solubility measurement Correlation model phase equilibrium
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