5 results about "Partition coefficient" patented technology

Predict the retention time of the target substance obtained by high-performance liquid chromatography. [Solution] In the retention time prediction method, a parametric function is created using a linear combination of the partition coefficients between the mobile phase and multiple stationary phase models. For multiple standard substances, the partition coefficients between the mobile phase and multiple stationary phase models are calculated by quantum chemical calculations using molecular structure information. Using the retention times and partition coefficients of the multiple standard substances, the parameters of the partition coefficients in the linear combination of the parametric function are determined by linear regression. A specific function is created by substituting the parameters into the parametric function. For the target substance, the partition coefficients between the mobile phase and multiple stationary phase models are calculated by quantum chemical calculations using molecular structure information. Using the specific function, the retention time is calculated from the partition coefficients for the target substance.

The invention discloses a method for measuring an element distribution coefficient and an isotope fractionation value between a fluid and a melt, and belongs to the field of stable isotope geochemistry, and the method comprises the following steps: preparing an initial fluid and an initial solid phase; performing isotope exchange reaction by using the initial fluid and the initial solid phase; an experimental fluid phase and an experimental melt phase in a reaction product are separated through freezing and deionized water cleaning; and determining the metal element content and stable isotope composition of the experimental fluid phase and the experimental melt phase, and calculating the metal element distribution coefficient and isotope fractionation value between the experimental fluid phase and the experimental melt phase. According to the method, after isotope exchange equilibrium of the rapid quenching cold-sealed autoclave, the fluid phase and the silicate rock phase are frozen and then separated, the fluid phase and the silicate rock phase are precisely separated and recovered through multi-step deionized water cleaning, precise analysis of the metal element content and the isotope composition of the two phases is achieved, and the analysis precision of the metal element content and the isotope composition of the two phases is improved. And the method has positive significance on isotope geochemistry development.

The present application relates to the technical field of geochemical quality migration calculation, in particular to a method for calculating the quality migration of geological evolution, and mainly comprises the following characteristics: an initial material-product geological evolution conceptual box model is established, the mass concentration of each element in different subsystems is determined, the system evolution degree epsilon is calculated to measure the degree of system mass change, the element activity ability is measured by calculating the partition coefficient D i , and finally the quality migration is calculated by using a formula to objectively reflect the mass change process of the element; compared with the prior art, the present application does not need to assume inactive elements, avoids subjective bias, can effectively overcome the influence of the closed effect, and provides more reliable calculation results of the element quality migration; the method is widely applicable to the field of geological research, and has significant application value in aspects of structural background discrimination, magmatic rock classification, and sediment source area analysis.

The invention relates to the technical field of environmental science engineering, in particular to a polycyclic aromatic hydrocarbon pollution traceability analysis and diffusion simulation method and system.The method comprises the following steps that the photolysis rate is corrected based on aerosol characteristics, initial emission is reduced, a pollution source is analyzed, the particle temperature is calculated, a distribution coefficient is deduced, and pollutant phase states are divided; and establishing a three-dimensional synthetic wind field coupled with the canyon vortex, calculating convection diffusion, and simulating a space migration trajectory. According to the method, the light intensity attenuation rate is calculated and the photolysis rate constant is corrected by analyzing the microstructure characteristics of the aerosol, exponential loss compensation reduction is performed on the monitored concentration in combination with the gas mass transmission time, the initial emission intensity lost due to photochemical reaction is obtained, and a particle surface heat balance equation is constructed to solve the heat balance temperature. The saturated vapor pressure is corrected according to the temperature, a dynamic gas-solid distribution coefficient is calculated, convection diffusion operation is performed in combination with a three-dimensional synthetic flow field, and phase state dynamic evolution distortion and trajectory prediction deviation are avoided.