CN-122024903-A - Physical property prediction method, system, equipment, medium and product of hexafluoropropylene refrigerant

CN122024903ACN 122024903 ACN122024903 ACN 122024903ACN-122024903-A

Abstract

The application discloses a physical property prediction method, a system, equipment, a medium and a product of hexafluoropropylene refrigerant, and relates to the field of chemical industry thermodynamics; the method comprises the steps of screening basic physical property data by utilizing a thermodynamic consistency principle to obtain screened basic physical property data, constructing an initial multiparameter state equation according to the screened basic physical property data, constructing an objective function according to the screened basic physical property data and the initial multiparameter state equation, obtaining the multiparameter state equation based on a least square method according to the objective function, and predicting the physical property of hexafluoropropylene by utilizing the multiparameter state equation.

Inventors

XIANG SHUGUANG
LIU HUIMIN
WANG XIJUN
ZHAO WENYING
SUN XIAOYAN
TAO SHAOHUI

Assignees

青岛科技大学

Dates

Publication Date: 20260512
Application Date: 20260130

Claims (10)

1. A method for predicting physical properties of a hexafluoropropylene refrigerant, the method comprising: obtaining basic physical property data of hexafluoropropylene, wherein the basic physical property data comprises: data, gas phase sound velocity, saturated vapor pressure, saturated vapor-liquid phase density and ideal gas heat capacity; the said The data includes pressure, density and temperature; screening the basic physical property data by utilizing a thermodynamic consistency principle to obtain screened basic physical property data; constructing an initial multiparameter state equation according to the screened basic physical property data; Constructing an objective function according to the screened basic physical property data and an initial multiparameter state equation, wherein the objective function is the sum of a physical property calculation deviation objective function and a thermodynamic constraint objective function, and the physical property calculation deviation objective function is the sum of a physical property estimated value and a physical property actual value of a relative square difference; fitting an initial multiparameter state equation based on a least square method according to the objective function to obtain the multiparameter state equation; and predicting the physical properties of hexafluoropropylene by utilizing a multiparameter state equation.
2. The method for predicting physical properties of hexafluoropropylene refrigerant according to claim 1, wherein the constructing an initial multiparameter state equation based on the screened basic physical property data specifically comprises: using the formula Constructing an initial multiparameter equation of state ; Wherein, the As an ideal item, the method is that, , For the remaining items to be the same, , In order to be able to compare the density, Is a constant related to the entropy value in the reference state, Is a constant related to the enthalpy in the reference state, In order to reverse the temperature of the comparison, Is the critical temperature of hexafluoropropylene which is the temperature of the film, To characterize the fundamental part of the ideal gas heat capacity except for the vibration contribution, To adjust the parameters of the contributions of the different vibration modes to the heat capacity, For the coefficient of influence of different vibration modes on the heat capacity, For the coefficients of the remaining term(s), As an index of the temperature of the remaining term, For the remaining term of the density index, The parameters are adjusted for the density dependence, To control the coefficients of the width of the gaussian term in the density direction, To control the coefficient of the center position of the gaussian term in the density direction, To control the coefficient of the width of the gaussian term in the temperature direction, To control the coefficient of the center position of the gaussian term in the temperature direction.
3. The method for predicting physical properties of hexafluoropropylene refrigerant according to claim 1, wherein said constructing an objective function based on said screened basic physical property data and an initial multiparameter state equation, specifically comprises: Constructing a physical property estimation model according to the screened basic physical property data and an initial multiparameter state equation, wherein the physical property estimation model comprises a pressure physical property estimation model, a compression factor physical property estimation model, a gas phase sound velocity physical property estimation model, an isovolumetric thermal property estimation model, an entropy physical property estimation model and a Gibbs free physical property estimation model; Determining physical property estimated values of basic physical property data according to the physical property estimated model; determining a weighted physical property deviation objective function according to the physical property estimation value; And constructing an objective function according to the weighted physical property deviation objective function and the thermodynamic constraint objective function.
4. A method for predicting physical properties of hexafluoropropylene refrigerant according to claim 3, wherein said constructing a physical property estimation model based on said screened basic physical property data and an initial multiparameter state equation specifically comprises: using the formula A physical property estimation model of the pressure is constructed, wherein, For the estimated value of the physical properties of the pressure, In order to achieve a density of the particles, For the first partial derivative of the initial multiparameter state equation with respect to density, In order to achieve a molar gas constant, In order to be able to determine the temperature, In order to be able to compare the density, For remaining pairs of items Is the first partial derivative of (a); using the formula Constructing a physical property estimation model of the compression factor, wherein, Is a compression factor physical property estimated value; using the formula A physical property estimation model of the gas phase sound velocity is constructed, wherein, Is the physical property estimated value of the sound velocity of the gas phase, Is the molar molecular weight of hexafluoropropylene which is, As a first partial derivative of pressure with respect to density, For remaining pairs of items The second partial derivative is used to determine the second partial derivative, In order to reverse the temperature of the comparison, For remaining pairs of items And Is used to determine the second partial derivative of the (c), Is an ideal item pair Is used for the first partial derivative of (c), For remaining pairs of items Second partial derivative; using the formula Determining a physical property estimation model of the constant volume heat capacity, wherein, For the estimation value of the constant-volume thermal capacity physical property, Is an ideal item pair Is used for the first partial derivative of (c), For remaining pairs of items Second partial derivative; using the formula Determining a physical property estimation model of the Gibbs free energy, wherein, Is the estimated value of the free energy physical property of Gibbs, As an ideal item, the method is that, , For the remaining items to be the same, ; Using the formula Determining a physical property estimation model of entropy, wherein, For the estimated value of the physical property of the entropy, Is an ideal item pair Is used for the first order partial derivative of (a), Is the remaining item pair Is a first order partial derivative of (a).
5. A physical property prediction method of hexafluoropropylene refrigerant according to claim 3, wherein the determining physical property estimation value of the basic physical property data according to the physical property estimation model specifically comprises: Respectively determining a corresponding pressure physical property estimated value, a compression factor physical property estimated value, a gas phase sound velocity physical property estimated value, an isovolumetric thermal physical property estimated value, an entropy physical property estimated value and a Gibbs free physical property estimated value according to the physical property estimated model; determining a saturated vapor pressure estimated value and a saturated vapor liquid phase density physical property estimated value according to a judging principle that the pressure physical property estimated value is equal to the Gibbs free energy estimated value; And determining an ideal gas thermal property estimated value according to the gas phase sound velocity estimated value.
6. A method for predicting physical properties of hexafluoropropylene refrigerant according to claim 3, wherein said constructing an objective function from said weighted physical property deviation objective function and thermodynamic constraint objective function specifically comprises: using the formula Constructing an objective function; Wherein, the As a function of the object to be processed, For the weighted physical property deviation objective function, , For the purpose of thermodynamically constraining the objective function, , To weight the scaling factor of the property deviation objective function, For the scaling factor of the thermodynamically constrained objective function, Is the first The weighting factors of the individual pressure data are, Is the first The weighting factors of the individual density data are, Is the first A weighting factor for the vapor phase sound velocity data, Is the first A weighting factor for the heat capacity of the ideal gas, Is the first The relative deviation of the individual pressure data is, Is the first The relative deviation of the individual density data is, Is the first The relative deviation of the individual vapor phase sound velocity data, Is the first The relative deviation of the ideal gas heat capacity data, Is the first A thermodynamic constraint.
7. A physical property prediction system of hexafluoropropylene refrigerant, characterized in that the physical property prediction system of hexafluoropropylene refrigerant comprises: The basic physical property data acquisition module is used for acquiring basic physical property data of hexafluoropropylene, wherein the basic physical property data comprises: data, gas phase sound velocity, saturated vapor pressure, saturated vapor-liquid phase density and ideal gas heat capacity; the said The data includes pressure, density and temperature; the screening module is used for screening the basic physical property data by utilizing a thermodynamic consistency principle to obtain screened basic physical property data; the initial multiparameter state equation construction module is used for constructing an initial multiparameter state equation according to the screened basic physical property data; The objective function construction module is used for constructing an objective function according to the screened basic physical property data and an initial multiparameter state equation, wherein the objective function is the sum of a physical property calculation deviation objective function and a thermodynamic constraint objective function, and the physical property calculation deviation objective function is the sum of the relative square difference between a physical property estimated value and a physical property actual value; The multi-parameter state equation construction module is used for fitting the initial multi-parameter state equation based on a least square method according to the objective function to obtain a multi-parameter state equation; and the prediction module is used for predicting the physical properties of hexafluoropropylene by utilizing a multiparameter state equation.
8. A computer device comprising a memory, a processor and a computer program stored on the memory and executable on the processor, wherein the processor executes the computer program to implement the method of predicting physical properties of hexafluoropropylene refrigerant as set forth in any one of claims 1-6.
9. A computer-readable storage medium having stored thereon a computer program, wherein the computer program when executed by a processor implements the method for predicting physical properties of hexafluoropropylene refrigerant as set forth in any one of claims 1 to 6.
10. A computer program product comprising a computer program which when executed by a processor implements the method for predicting physical properties of hexafluoropropylene refrigerant as set forth in any one of claims 1 to 6.

Description

Physical property prediction method, system, equipment, medium and product of hexafluoropropylene refrigerant Technical Field The application relates to the field of chemical thermodynamics, in particular to a physical property prediction method, a system, equipment, a medium and a product of hexafluoropropylene refrigerant. Background In the fields of refrigeration and air conditioning, energy efficiency optimization of an air conditioning system is highly dependent on accurate description and efficient utilization of thermal properties of a refrigerant, and the aim is often achieved by establishing a special multi-parameter state equation. Hydrofluoroolefins (HFO) based refrigerants have become an important development in the industry due to their low global warming potential (Global Warming Potential, GWP) and zero ozone depletion potential (Ozone Depletion Potential, ODP), hexafluoropropylene (CAS number 116-15-4), also known as R1216 (chemical formula C3F6, molar mass 150.023) The method is one of important representative varieties of Hydrofluoroolefin (HFO) refrigerants, is widely applied to various refrigeration and air-conditioning equipment, and the accuracy of the thermophysical data directly influences the design and operation efficiency of an air-conditioning system. Currently, 2, 3-tetrafluoro-1-propene (R1234 yf), trans-1, 3-tetrafluoropropene (R1234 ze (E)), 1, 2-trifluoroethylene (R1123) 3, 3-trifluoropropene (R1243 zf) and cis-1, 4-hexafluoro-2-butene (R1336 mzz (Z)), and the like, A special multiparameter state equation is established, and the physical properties of the model can be accurately predicted. However, there is still a lack of homogeneous multiparameter state equations specific to hexafluoropropylene (R1216). The defect obviously restricts the accurate calculation and simulation of the thermodynamic property of the refrigerant in a wide temperature area and a wide pressure range, also restricts the theoretical basis of system optimization and novel equipment design, and becomes an important technical gap in the field of the physical property research of the current refrigerant. Therefore, in view of the above-mentioned problems, it is desirable to provide a method, a system, a device, a medium and a product for predicting the physical properties of hexafluoropropylene refrigerant, which can accurately predict the physical properties of hexafluoropropylene, and provide reliable thermodynamic support for evaluating the safety and usability of the refrigerant under different conditions. Disclosure of Invention The application aims to provide a physical property prediction method, a system, equipment, a medium and a product of hexafluoropropylene refrigerant, which can accurately predict the physical property of hexafluoropropylene and provide reliable thermodynamic support for evaluating the safety and usability of the refrigerant under different conditions. In order to achieve the above object, the present application provides the following solutions: In a first aspect, the present application provides a method for predicting physical properties of hexafluoropropylene refrigerant, comprising: obtaining basic physical property data of hexafluoropropylene, wherein the basic physical property data comprises: data, gas phase sound velocity, saturated vapor pressure, saturated vapor-liquid phase density and ideal gas heat capacity; the said The data includes pressure, density and temperature; screening the basic physical property data by utilizing a thermodynamic consistency principle to obtain screened basic physical property data; constructing an initial multiparameter state equation according to the screened basic physical property data; Constructing an objective function according to the screened basic physical property data and an initial multiparameter state equation, wherein the objective function is the sum of a physical property calculation deviation objective function and a thermodynamic constraint objective function, and the physical property calculation deviation objective function is the sum of a physical property estimated value and a physical property actual value of a relative square difference; fitting an initial multiparameter state equation based on a least square method according to the objective function to obtain the multiparameter state equation; and predicting the physical properties of hexafluoropropylene by utilizing a multiparameter state equation. Optionally, constructing an initial multiparameter state equation according to the screened basic physical property data specifically includes: using the formula Constructing an initial multiparameter equation of state; Wherein, the As an ideal item, the method is that,,For the remaining items to be the same,,In order to be able to compare the density,Is a constant related to the entropy value in the reference state,Is a constant related to the enthalpy in the reference state,In order to reverse the temperature of