Rock Plot岩石地球化学图解软件是以岩石地球化学参数计算与图解为研究对象,应用计算机处理岩石地球化学数据的一次新的尝试。系统整体运用WPF技术,采用松耦合的插件式设计,既保证岩石化学计算与图解的独立性,也维持了系统的整体性;采...Rock Plot岩石地球化学图解软件是以岩石地球化学参数计算与图解为研究对象,应用计算机处理岩石地球化学数据的一次新的尝试。系统整体运用WPF技术,采用松耦合的插件式设计,既保证岩石化学计算与图解的独立性,也维持了系统的整体性;采用简单、易于读写的JSON轻量级数据格式作为岩石化学计算与图解的统一配置模块,提供了高度灵活的扩展功能,并实现了矢量化输出。系统集计算与图解功能于一身,提供了综合、整体的岩石地球化学数据处理应用体验。展开更多
Two examples are given for comparing applications and limitations of four methods which can be used to deal with error propagation in geochemical calculations.The examples indicate that the Monte Carlo method can also...Two examples are given for comparing applications and limitations of four methods which can be used to deal with error propagation in geochemical calculations.The examples indicate that the Monte Carlo method can also be employed to evaluate the effect of covariance.A special function of the method for covariance matrix shown here can reveal the correlations of middle variables relative to the independent primary variables.展开更多
In this work, the authors thermodynamic equilibrium calculations developed a computer program in MATLAB of vapor-liquid multicomponent phases below the language for aqueous speciation and critical temperature of wat...In this work, the authors thermodynamic equilibrium calculations developed a computer program in MATLAB of vapor-liquid multicomponent phases below the language for aqueous speciation and critical temperature of water （647 K） and pressures up to 2 kilobar with two computational routines. The first routine calculates the aqueous speciation from the equations of mass balance, charge balance and mass action, forming a system of N equations and N unknowns describing the aqueous phase with N unknown chemical species, which is solved with Newton-Raphson method using the Debye-Hiickel and Bdotactivity coefficients that solved simultaneously with Henry＇s Law, the Soave-Redlich-Kwong equation of state and a Poynting correction term, calculate chemical potentials and composition of the phases of the system, which are used at the Ratchford-Rice flash routine that iteratively recalculates the distribution of gases in liquid, until convergence. The chemical composition data of gas and brine phases of production wells at standard conditions for 1998 and 2007 of the Los Humeros geothermal field are modeled in the described manner, deducing that fluids inside the pipes of the reservoir are corrosive and cause the precipitation of newly formed minerals such as iron and calcium sulfates and silica, at reservoir conditions.展开更多
This paper aims to provide a brief introduction to recent advances in numerical algorithms and methods in the emerging computational geoscience filed with general simulation characteristics of modeling multiple chemic...This paper aims to provide a brief introduction to recent advances in numerical algorithms and methods in the emerging computational geoscience filed with general simulation characteristics of modeling multiple chemical and physical processes that take place in ore-generating systems within the Earth's crust. Due to significant differences between Earth systems and engineering systems, the existing numerical algorithms and methods, which are designed for simulating realistic problems in the engineering fields, may not be straightforwardly used to simulate ore-generating problems without significant improvements. Thus, extensive and systematic studies have been conducted, in recent years, to develop new numerical algorithms and methods for simulating different aspects of ore-generating problems. Not only can the outcomes of these studies provide new simulation tools for better understanding the controlled dynamic mechanisms that take place in ore-generating systems, but also they have enriched the research contents of computational mechanics in the broad sense.展开更多
基金The project was financially supported by the National Natural Science Foundation of China
文摘Two examples are given for comparing applications and limitations of four methods which can be used to deal with error propagation in geochemical calculations.The examples indicate that the Monte Carlo method can also be employed to evaluate the effect of covariance.A special function of the method for covariance matrix shown here can reveal the correlations of middle variables relative to the independent primary variables.
文摘In this work, the authors thermodynamic equilibrium calculations developed a computer program in MATLAB of vapor-liquid multicomponent phases below the language for aqueous speciation and critical temperature of water （647 K） and pressures up to 2 kilobar with two computational routines. The first routine calculates the aqueous speciation from the equations of mass balance, charge balance and mass action, forming a system of N equations and N unknowns describing the aqueous phase with N unknown chemical species, which is solved with Newton-Raphson method using the Debye-Hiickel and Bdotactivity coefficients that solved simultaneously with Henry＇s Law, the Soave-Redlich-Kwong equation of state and a Poynting correction term, calculate chemical potentials and composition of the phases of the system, which are used at the Ratchford-Rice flash routine that iteratively recalculates the distribution of gases in liquid, until convergence. The chemical composition data of gas and brine phases of production wells at standard conditions for 1998 and 2007 of the Los Humeros geothermal field are modeled in the described manner, deducing that fluids inside the pipes of the reservoir are corrosive and cause the precipitation of newly formed minerals such as iron and calcium sulfates and silica, at reservoir conditions.
基金supported by the National Natural Science Foundation of China(Grant Nos.11272359,10872219 and 10672190)
文摘This paper aims to provide a brief introduction to recent advances in numerical algorithms and methods in the emerging computational geoscience filed with general simulation characteristics of modeling multiple chemical and physical processes that take place in ore-generating systems within the Earth's crust. Due to significant differences between Earth systems and engineering systems, the existing numerical algorithms and methods, which are designed for simulating realistic problems in the engineering fields, may not be straightforwardly used to simulate ore-generating problems without significant improvements. Thus, extensive and systematic studies have been conducted, in recent years, to develop new numerical algorithms and methods for simulating different aspects of ore-generating problems. Not only can the outcomes of these studies provide new simulation tools for better understanding the controlled dynamic mechanisms that take place in ore-generating systems, but also they have enriched the research contents of computational mechanics in the broad sense.
