CN105808933A - Method and system for judging structural stability of high-molecular surfactant - Google Patents

Abstract

The invention provides a method for judging the structural stability of high polymer CA, which comprises the following steps: obtaining the molecular configuration, the molecular weight and a plurality of different preset temperatures of a target CA; calculating to obtain an expression of the related function in the molecule of the target CA; establishing a closed equation containing a direct correlation function and a total correlation function of the target CA by adopting PY approximation; establishing a PRISM integral equation containing a direct correlation function, a total correlation function and an intramolecular correlation function of the target CA; calculating the closed equation and the PRISM integral equation to obtain an expression corresponding to the preset temperature direct correlation function and an expression corresponding to a total correlation function; calculating to obtain the X-ray scattering intensity of the target CA corresponding to the preset temperature; and judging the structural stability of the target CA according to the X-ray scattering intensities corresponding to the different preset temperatures one by one.

Description

The structural stability determination methods of a kind of high molecular surfactant and system

Technical field

The present invention relates to chemical mechanical milling tech and field of measuring technique, be specifically related to a kind of high molecular form The structural stability determination methods of face activating agent and system.

Background technology

In integrated circuit chemistry mechanical lapping (Chemical Mechanical Planarization, CMP) technique During, surfactant (Complexing Agent, CA) is as the key component of lapping liquid, to chip The planarization processing on surface has important function.

During CMP, CA can reduce the surface tension between lapping liquid and hydrophobic film, makes Lapping liquid and hydrophobic film more fit tightly, and reduce and control the residue of wafer hydrophobic-film surfaces With defects such as polishing particles, improve cmp effect；Further, CA also has relatively low critical glue Bundle concentration, easily makes abrasive grains disperse, and significantly more stablizes abrasive grains, improves each component of lapping liquid Stability, reduce lapped face cleaning difficulty etc..

In recent years, people are devoted to searching and exploitation bioaffinity is good and the macromolecule CA of architecture, To expand the range of application of CMP technique further, promote the degree of planarization of lapped face.Research and develop at CA During, X-light scatter intensity (X-Ray Scattering Intensity, XRSI) is to characterize macromolecule CA knot The important parameter of structure.By the polymerization peak-to-peak value of X-light scatter intensity, and polymerization peak and amorphous peak Change in location, i.e. can obtain judging the structure change of macromolecule CA.

Existing macromolecule CA R&D process, by experiment synthesis target CA, detection should at different temperatures The X-light scatter intensity of target CA, determines the structural stability of target CA.But, this kind of method research and development week Phase is long, and cost is high.

Summary of the invention

In view of this, the invention provides the structural stability determination methods of a kind of high molecular surfactant And system, shorten the research and development process of macromolecule CA, reduce experimental cost.

For achieving the above object, the present invention provides following technical scheme:

A kind of structural stability determination methods of high molecular surfactant, including:

Obtain the molecular configuration of surfactant, molecular weight and multiple different preset temperature；

For each preset temperature, perform following steps respectively, until obtaining different default from the plurality of Temperature X-light scatter intensity one to one:

Molecular configuration according to described surfactant and molecular weight, be calculated described surfactant The expression formula of intramolecular correlation function；

Use PY approximation, set up and comprise the directly related function of described surfactant and total correlation function Guan Bi equation；

Set up described surfactant macromolecule reference role point model integral equation；

According to described molecular configuration and preset temperature, calculate described Guan Bi equation and described macromolecule with reference to making Use point model integral equation, obtain the expression formula of the directly related function of corresponding described preset temperature and total phase Close the expression formula of function；

Expression formula, the expression formula of directly related function and total correlation letter according to described intramolecular correlation function The expression formula of number, is calculated the X-light scatter intensity of the surfactant of corresponding described preset temperature；

According to from the plurality of different preset temperatures the most described X-light scatter intensity, it is judged that described The structural stability of surfactant.

Preferably, the described molecular configuration according to described surfactant and molecular weight, it is calculated described The expression formula of the intramolecular correlation function of surfactant, including:

According to described molecular configuration and molecular weight, set up the reference role point model of described surfactant；

In the reference role point model of the employing generator matrix method described surfactant of acquisition between different application points Second momentAnd Fourth-order moment

It is calculated the expression of the intramolecular correlation function of the reference role point model of described surfactant Formula:

${\widehat{\mathrm{\ω}}}_{\mathrm{\α}\mathrm{\γ}}\left(k\right)=\frac{sin\left(B_{\mathrm{\α}\mathrm{\γ}}k\right)}{B_{\mathrm{\α}\mathrm{\γ}}k}{e}^{-A_{\mathrm{\α}\mathrm{\γ}}^2{k}^2};$

Wherein, $A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>(1-N_{\mathrm{\&alpha;}\mathrm{\&gamma;}})/6,B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>,N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=\frac{1}{2}(5-3\frac{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^4>}{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{>}^2}).$

Preferably, described employing PY approximate, set up comprise described surfactant directly related function and The Guan Bi equation of total correlation function, including:

According to described molecular configuration and molecular weight, set up the reference role point model of described surfactant；

Use PY approximation, set up directly related function and the total correlation letter comprising described reference role point model The Guan Bi equation of number:

$C_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(r\right)=(1+h_{\mathrm{\&alpha;}\mathrm{\&gamma;}}(r)-C_{\mathrm{\&alpha;}\mathrm{\&gamma;}}(r\left)\right)(e^{-u_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(r\right)/k_{B}T}-1);$

Wherein, C_αγR () is directly related function, h_αγR () is total correlation function, k_BFor Boltzmann constant, T is absolute temperature；u_αγR () is potential-energy function；

Described potential-energy function u_αγR () only includes hydrogen bond and Van der Waals force.

Preferably, described according to described molecular configuration and molecular weight, set up the reference of described surfactant Application point model, including:

According to described molecular configuration and molecular weight, set up the semi-free chain model of multiple spot of described surfactant；

The semi-free chain model of multiple spot according to described surfactant, by described surfactant molecule chain Monomer be reduced to application point, set up the reference role point model of described surfactant；

Wherein, in described application point model, the field of force between application point only includes hydrogen bond and Van der Waals force.

Preferably, described set up described surfactant macromolecule reference role point model integral equation, bag Include:

Utilize h (r)=∫ dr' ∫ dr " ω (| r-r'|) C (| r'-r " |) [ω (r ") and+ρ h (r ")] set up described macromolecule reference role point Model integral equation, wherein: ρ is the number density of molecule of activating agent, C (r), h (r) and ω (r) are respectively straight Connect correlation function, total correlation function and intramolecular correlation function.

Preferably, the described expression formula according to described intramolecular correlation function, the expression of directly related function Formula and the expression formula of total correlation function, be calculated the X-light of the surfactant of corresponding described preset temperature Scattering strength, including:

Expression formula, the expression formula of directly related function and total correlation letter according to described intramolecular correlation function The expression formula of number, obtains the structure factor of the surfactant of corresponding described preset temperature:

$\hat{S}\left(k\right)=\widehat{\mathrm{\&Omega;}}\left(k\right)+\widetilde{\mathrm{\&rho;}}\hat{h}\left(k\right)={(I-\mathrm{\&rho;}\widehat{\mathrm{\&Omega;}}(k\left)\hat{C}\right(k\left)\right)}^{-1}\widehat{\mathrm{\&Omega;}}\left(k\right),$

Wherein,It is respectively the Fourier transformation form of ω (r) and C (r)；

According to described structure factor, the X-light of the surfactant being calculated corresponding described preset temperature dissipates Penetrate intensity:

$H\left(k\right)=k\left(\underset{\mathrm{\&alpha;}\mathrm{\&gamma;}}{\&Sigma;}{b}_{\mathrm{\&alpha;}}\right(k\left)b_{\mathrm{\&gamma;}}\right(k\left){\hat{S}}_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\right(k)/N_S-{\mathrm{\&Sigma;x}}_{\mathrm{\&alpha;}}{b}_{\mathrm{\&alpha;}}^2\left(k\right)),$

Wherein, x_αFor α group component number, b_αK () is α group dispersion factor, N_SFor free atom group Number.

Preferably, described basis is strong from the most described X-light scattering of the plurality of different preset temperatures Degree, it is judged that the structural stability of described surfactant, including:

Obtain the plurality of different preset temperature the most described X-light scatter intensity；

Judge the polymerization peak-to-peak value change of the plurality of different preset temperature X-light scatter intensity one to one Whether maximum is less than first threshold, if it is, carry out next step；If it is not, then live in described surface Property agent structural instability；

Judge that the position at the polymerization peak of the plurality of different preset temperature X-light scatter intensity one to one becomes Change whether maximum is less than Second Threshold, if it is, carry out next step；If it is not, then described surface Active agent structures is unstable；

Judge the position at the amorphous peak of the plurality of different preset temperature X-light scatter intensity one to one Whether change maximum is less than the 3rd threshold value, if it is, described object construction is stable, if it is not, then institute State surfactant structure unstable.

A kind of high molecular surfactant structural stability judges system, including:

Acquisition module, is used for obtaining surfactant molecule configuration, molecular weight and multiple different preset temperature；

Control module, for for each preset temperature, controls respective modules respectively and performs to calculate operation, Until obtaining and the plurality of different preset temperatures X-light scatter intensity one to one:

First computing module, for the molecular configuration according to described surfactant and molecular weight, calculates Expression formula to the intramolecular correlation function of described surfactant；

Approximate module, is used for using PY to approximate, and sets up the directly related function comprising described surfactant Guan Bi equation with total correlation function；

MBM, is used for setting up described surfactant macromolecule reference role point model integral equation；

Second computing module, for according to described molecular configuration and preset temperature, calculates described Guan Bi equation With described macromolecule reference role point model integral equation, obtain the directly related of corresponding described preset temperature The expression formula of function and the expression formula of total correlation function；

3rd computing module, for according to the expression formula of described intramolecular correlation function, directly related function Expression formula and the expression formula of total correlation function, be calculated the surfactant of corresponding described preset temperature X-light scatter intensity；

Judge module, for from according to the most described X-light scattering of the plurality of different preset temperatures Intensity, it is judged that the structural stability of described surfactant.

Preferably, described first computing module includes:

First modeling unit, for according to described CA molecular configuration and molecular weight, sets up described surface activity The reference role point model of agent CA；

First acquiring unit, for using generator matrix method to obtain the reference role of described surfactant CA Second moment between different application points in point modelAnd Fourth-order moment

First computing unit, for being calculated dividing of the reference role point model of described surfactant CA The expression formula of correlation function in son:

${\widehat{\mathrm{\&omega;}}}_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(k\right)=\frac{sin\left(B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k\right)}{B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k}{e}^{-A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{k}^2};$

Wherein, $A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>(1-N_{\mathrm{\&alpha;}\mathrm{\&gamma;}})/6,B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>,N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=\frac{1}{2}(5-3\frac{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^4>}{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{>}^2}).$

Preferably, described judge module includes:

Second acquisition unit, is used for obtaining the plurality of different preset temperature the most described X-light and dissipates Penetrate intensity；

First judging unit, is used for judging that the plurality of different preset temperature X-light scattering one to one is strong Whether the polymerization peak-to-peak value change maximum of degree is less than first threshold, if it is, carry out next step；As The most no, the most described surfactant structure is unstable；

Second judging unit, is used for judging that the plurality of different preset temperature X-light scattering one to one is strong Whether the change in location maximum at the polymerization peak of degree is less than Second Threshold, if it is, carry out next step； If it is not, then described surfactant structure is unstable；

3rd judging unit, is used for judging that the plurality of different preset temperature X-light scattering one to one is strong Whether the change in location maximum at the amorphous peak of degree is less than the 3rd threshold value, if it is, described surface activity Agent Stability Analysis of Structures, if it is not, then described object construction is unstable.

Compared with prior art, the invention have the advantages that

Use PY approximation, theoretical in conjunction with macromolecule reference role point model, closer to calculative surface The real structure of activating agent, thus obtains describing the directly related function of described CA, total phase under preset temperature Close function and intramolecular correlation function expression formula more accurately, thus it is strong to obtain X-light scattering accurately Degree.By calculating the X-light scatter intensity of CA under multiple different preset temperature, can react under different temperatures The structure change of CA, thus judge the structural stability of described CA.Compared to experimental measurement macromolecule CA X-light scatter intensity, the present invention be made without early stage experiment synthesis and object construction CA X-light dissipate Penetrate the measurement of intensity, thus shorten the R&D cycle, reduce experimental cost, improve work efficiency, for experiment Synthesizing new high molecular surfactant provides important tool.

Accompanying drawing explanation

In order to be illustrated more clearly that the embodiment of the present invention or technical scheme of the prior art, below will be to reality Execute the required accompanying drawing used in example or description of the prior art to be briefly described, it should be apparent that below, Accompanying drawing in description is only embodiments of the invention, for those of ordinary skill in the art, not On the premise of paying creative work, it is also possible to obtain other accompanying drawing according to the accompanying drawing provided.

Fig. 1 is the determination methods flow chart of the embodiment of the present invention one；

Fig. 2 is the reference role point model schematic diagram set up in the inventive method；

Fig. 3 is the judgement system construction drawing of the embodiment of the present invention three.

Detailed description of the invention

Below in conjunction with the accompanying drawing in the embodiment of the present invention, the technical scheme in the embodiment of the present invention is carried out Clearly and completely describe, it is clear that described embodiment is only a part of embodiment of the present invention, and It is not all, of embodiment.Based on the embodiment in the present invention, those of ordinary skill in the art are not doing Go out the every other embodiment obtained under creative work premise, broadly fall into the scope of protection of the invention.

As stated in the Background Art, existing macromolecule CA R&D process, synthesize target CA by experiment, Detect the X-light scatter intensity of this target CA under different temperatures, determine the structural stability of target CA.But, This kind of method R&D cycle is long, and cost is high.

Based on this, the present invention proposes structural stability determination methods and the system of a kind of macromolecule CA, including:

Obtain the molecular configuration of surfactant, molecular weight and multiple different preset temperature；For each pre- If temperature, perform following steps respectively, until obtaining from the plurality of different preset temperatures one to one X-light scatter intensity: according to molecular configuration and the molecular weight of described surfactant, be calculated described table The expression formula of the intramolecular correlation function of face activating agent；Use PY approximation, set up and comprise described surface activity The directly related function of agent and the Guan Bi equation of total correlation function；Set up described surfactant macromolecule ginseng Examine application point model integral equation；According to described molecular configuration and preset temperature, calculate described Guan Bi equation With described macromolecule reference role point model integral equation, obtain the directly related of corresponding described preset temperature The expression formula of function and the expression formula of total correlation function；Expression formula according to described intramolecular correlation function, The expression formula of directly related function and the expression formula of total correlation function, be calculated corresponding described preset temperature The X-light scatter intensity of surfactant；According to from the plurality of different preset temperatures institute one to one State X-light scatter intensity, it is judged that the structural stability of described surfactant.

Use PY approximation, theoretical in conjunction with macromolecule reference role point model, closer to calculative surface The real structure of activating agent, thus obtains describing the directly related function of described CA, total phase under preset temperature Close function and intramolecular correlation function expression formula more accurately, thus it is strong to obtain X-light scattering accurately Degree.By calculating the X-light scatter intensity of CA under multiple different preset temperature, different temperatures can be reacted The structure change of lower CA, thus judge the structural stability of described CA.Compared to experimental measurement macromolecule The X-light scatter intensity of CA, the present invention is made without the experiment synthesis of early stage with object construction CA's The measurement of X-light scatter intensity, thus shorten the R&D cycle, reduce experimental cost, improve work efficiency, Important tool is provided for experiment synthesizing new high molecular surfactant.

It is above the central idea of the present invention, below in conjunction with the accompanying drawing in the embodiment of the present invention, to this Technical scheme in bright embodiment is clearly and completely described, it is clear that described embodiment is only It is a part of embodiment of the present invention rather than whole embodiments.Based on the embodiment in the present invention, this The every other embodiment that field those of ordinary skill is obtained under not making creative work premise, Broadly fall into the scope of protection of the invention.

Embodiment one

Present embodiments provide the structural stability determination methods of a kind of high molecular surfactant, including with Lower step:

Step S0: determine the molecular configuration of surfactant, molecular weight and multiple different preset temperature.

This step be mainly used in determining the molecular configuration of high molecular surfactant and surfactant point Son amount.The CA of different molecular weight has different microstructures.Further, under different temperatures, surface activity The structure of agent would also vary from

Step S1: for each preset temperature, performs following steps respectively, until obtaining with the plurality of Different preset temperature X-light scatter intensity one to one.

Calculate the X-light scatter intensity under multiple different preset temperature respectively, can be with high under comparison different temperatures The structure change of molecular surface active agent, so that it is determined that the structural stability of high molecular surfactant.

Concrete, described step includes:

Step S111: obtain surfactant CA molecular configuration, molecular weight and preset temperature.

Step S112: according to molecular configuration and the molecular weight of described surfactant, be calculated described CA The expression formula of intramolecular correlation function.

Concrete, this step includes:

First, according to described molecular configuration and molecular weight, the reference role point of described surfactant is set up Model.

In the present embodiment, described reference role point model to set up process as follows:

Molecular configuration according to described surfactant and molecular weight, set up the multiple spot of described surfactant Semi-free chain model；

The semi-free chain model of multiple spot according to described surfactant CA, divides described surfactant CA Monomer in subchain is reduced to application point, sets up the reference role point model of described CA；

Wherein, in described application point model, the field of force between application point only includes hydrogen bond and Van der Waals force.

Concrete, as in figure 2 it is shown, be the reference role point model schematic diagram set up as a example by polystyrene, First determine molecular configuration and the molecular weight of polystyrene, obtain relevant geometrical structure parameter, by polyphenyl second Alkene monomer structure is reduced to 8 monomers, sets up reference role point model.

Usually, chain high molecular polymer can be reduced to for the macromolecule CA of CMP system, often The polymer chain seen has freely-jointed chain, semi-free chain, rotational isomeric chain etc..Semi-free chain is describing very Having the highest simulation precision during real Polymer Systems, therefore, the present invention mainly selects semi-free chain Model.

The theoretical reference role point of PRISM is set up according to polymer configuration.By using united stom model Each for macromolecular chain atom can be combined into atomic radical, thus simplify on the premise of not losing simulation precision Model calculates, and reduces model complexity.

Then, generator matrix method is used to obtain in the reference role point model of described surfactant CA different Second moment between application pointAnd Fourth-order moment

It is calculated the expression formula of the intramolecular correlation function of the reference role point model of described CA:

${\widehat{\mathrm{\&omega;}}}_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(k\right)=\frac{sin\left(B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k\right)}{B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k}{e}^{-A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{k}^2};$

Wherein, $A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>(1-N_{\mathrm{\&alpha;}\mathrm{\&gamma;}})/6,B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>,N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=\frac{1}{2}(5-3\frac{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^4>}{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{>}^2}).$

Step S113: use PY approximation, set up directly related function and the total correlation comprising described CA The Guan Bi equation of function.

Concrete, described step includes:

According to described molecular configuration and molecular weight, set up the reference role point mould of described surfactant CA Type；

Concrete, the described reference role point model setting up described surfactant CA is referred to step Modeling method in 112, in other embodiments of the application, it is also possible to the most once model, step 112 and step 113 all calculate accordingly with reference to this model.

Use PY approximation, set up directly related function and the total correlation letter comprising described reference role point model The Guan Bi equation of number:

$C_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(r\right)=(1+h_{\mathrm{\&alpha;}\mathrm{\&gamma;}}(r)-C_{\mathrm{\&alpha;}\mathrm{\&gamma;}}(r\left)\right)(e^{-u_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(r\right)/k_{B}T}-1);$

Wherein, C_αγR () is directly related function, h_αγR () is total correlation function, k_BFor Boltzmann constant, T is absolute temperature；u_αγR () is potential-energy function；

Described potential-energy function u_αγR () only includes hydrogen bond and Van der Waals force.

In the present embodiment, this step is mainly used in introducing macromolecule reference role point model (PRISM) reason Guan Bi equation needed for opinion calculating.During solving PRISM equation, need to introduce relevant approximation, often See such as hyper-netted chain, PY (Percus-Yevick) approximation and average spheric approximation etc..Near by PY Seemingly solve OZ (Ornstein-Zernike) integral equation, macromolecule CA can be described closer to real Structure.

Step S114: set up the macromolecule reference role point model integral equation of described surfactant CA.

Concrete, utilize h (r)=∫ dr' ∫ dr " ω (| r-r'|) C (| r'-r " |) [ω (r ") and+ρ h (r ")] set up described macromolecule reference Application point model integral equation, wherein: ρ is the number density of molecule of activating agent, C (r), h (r) and ω (r) point Wei directly related function, total correlation function and intramolecular correlation function.

This step Guan Bi equation in joint step 113 carries out simulation theoretical for PRISM and calculates.Institute PRISM equation to be solved, mainly by intramolecular and the intermolecular relevant letter of simulation macromolecule CA The internal association foundation of number obtains.

Step S115: according to described molecular configuration and preset temperature, calculates described Guan Bi equation and described height Molecule reference role point model integral equation, obtains the expression of the corresponding directly related function of described preset temperature Formula and the expression formula of total correlation function.

Concrete, the equation in step 113 and step 114 is carried out simultaneous solution, i.e. available correspondence The expression formula of the directly related function of described preset temperature and the expression formula of total correlation function.

Step S116: according to expression formula, the expression formula of directly related function of described intramolecular correlation function With the expression formula of total correlation function, it is calculated the X-of the surfactant CA of corresponding described preset temperature Light scatter intensity.

The surfactant CA's can being calculated under preset temperature by step S111-step S116 X-light scatter intensity.

Step S111-step S116 uses macromolecule reference role point model (Polymer Reference Interaction SiteModel, PRISM) Theoretical Calculation obtained the surfactant under preset temperature X-light scatter intensity.PRISM theory is to describe Polymer Materials ' Structure and the most important theories instrument of character, This theory is atomic radical interphase interaction relation in macromolecule, by analyzing molecules and intermolecular Atom (group) mutual relation, sets up from the theoretical model be in harmony, the final intramolecular and intermolecular of obtaining Not various correlation functions between homoatomic (group), and then obtain microstructure and the macroscopic property of system.

Step S2: according to from the plurality of different preset temperatures the most described X-light scatter intensity, Judge the structural stability of described surfactant CA.

By the multiple different preset temperature the most described X-light scatter intensity of comparison, such as, it is polymerized peak Position and size, the position etc. at amorphous peak, it is judged that the architectural feature of described target CA.

During exploitation high molecular surfactant (CA), X-light scatter intensity (XRSI) can be from Macroscopic perspective shows local density's fluctuation and the fluctuation of macromolecule CA, and density fluctuation directly features CA Microstructure, the difference of microstructure causes again the difference of macroscopic property, such as pressure, surface tension etc., Therefore XRSI is one of important means of macroscopic property of reflection macromolecule CA, for distinguishing, detecting difference Structure and the character of CA are significant.

In the present embodiment, use PY approximation, theoretical in conjunction with PRISM, obtain describing under preset temperature described The directly related function of CA, total correlation function and intramolecular correlation function, thus obtain XRSI.Pass through Calculate the XRSI of CA under multiple different preset temperature, thus judge the structural stability of described CA.Compare In the XRSI of experimental measurement macromolecule CA, the present invention can reduce experimental cost, shortens the R&D cycle, carries High workload efficiency, provides important tool for experiment synthesizing new macromolecule CA.

Embodiment two

Ibid an embodiment is compared, and the reference setting up surfactant CA in step S112 is made by the present embodiment With point model as an independent step, concrete described step 1 is divided into following steps:

Step S120: obtain surfactant CA molecular configuration, molecular weight and preset temperature.

Step S121: according to molecular configuration and the molecular weight of described surfactant, set up surfactant The reference role point model of CA.

Step S122: be calculated the expression formula of the intramolecular correlation function of described surfactant CA.

In this step, according to the model parameter in step 121, directly calculate, obtain described table The expression formula of the intramolecular correlation function of face activating agent CA.

Step S123: use PY approximation, set up the directly related letter comprising described surfactant CA Number and the Guan Bi equation of total correlation function.

In this step, owing to step S121 has been set up corresponding reference role point model, therefore, This step is directly applied the model parameter in described reference role point model, sets up and comprise the straight of described CA Connect the Guan Bi equation of correlation function and total correlation function.

Step S124: set up the macromolecule reference role point model integral equation of described CA.

Similar with step 123, according to the reference role point model of the CA having built up in step 121, This step is directly applied the model parameter in described reference role point model, sets up and comprise the straight of described CA Connect the macromolecule reference role point model integration of correlation function, total correlation function and intramolecular correlation function Equation.

Step S125: according to described molecular configuration and preset temperature, calculates described Guan Bi equation and described height Molecule reference role point model integral equation, obtains the table of the directly related function of corresponding described preset temperature Reach formula and the expression formula of total correlation function.

Step S126: according to expression formula, the expression formula of directly related function of described intramolecular correlation function With the expression formula of total correlation function, it is calculated the X-of the surfactant CA of corresponding described preset temperature Light scatter intensity.

Concrete, in the present embodiment, this step includes process calculated below:

Expression formula, the expression formula of directly related function and total correlation letter according to described intramolecular correlation function The expression formula of number, obtains the structure factor of surfactant CA corresponding to described preset temperature:

$\hat{S}\left(k\right)=\widehat{\mathrm{\&Omega;}}\left(k\right)+\widetilde{\mathrm{\&rho;}}\hat{h}\left(k\right)={(I-\mathrm{\&rho;}\widehat{\mathrm{\&Omega;}}(k\left)\hat{C}\right(k\left)\right)}^{-1}\widehat{\mathrm{\&Omega;}}\left(k\right),$

Wherein,It is respectively the Fourier transformation form of ω (r) and C (r)；

According to described structure factor, it is calculated the X-of surfactant CA corresponding to described preset temperature Light scatter intensity:

$H\left(k\right)=k\left(\underset{\mathrm{\&alpha;}\mathrm{\&gamma;}}{\&Sigma;}{b}_{\mathrm{\&alpha;}}\right(k\left)b_{\mathrm{\&gamma;}}\right(k\left){\hat{S}}_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\right(k)/N_S-{\mathrm{\&Sigma;x}}_{\mathrm{\&alpha;}}{b}_{\mathrm{\&alpha;}}^2\left(k\right)),$

Wherein, x_αFor α group component number, b_αK () is α group dispersion factor, N_SFor free atom group Number.

It addition, in other embodiments of the invention, the total correlation obtained is simulated according to described PRISM Function can also obtain intermolecular correlation function: g (r)=h (r)+1, and this function can describe macromolecule CA's Local accumulation effect and microstructure, be mechanics theory Study of Fluid and material structure and the weight of character Want means and method.

It addition, step 2 includes in the present embodiment:

Step 21: obtain the plurality of different preset temperature the most described X-light scatter intensity；

Step 22: judge the polymerization peak of the plurality of different preset temperature X-light scatter intensity one to one Whether peak change maximum is less than first threshold, if it is, carry out next step；If it is not, then institute State surfactant CA structural instability；

Step 23: judge the polymerization peak of the plurality of different preset temperature X-light scatter intensity one to one Change in location maximum whether less than Second Threshold, if it is, carry out next step；If it is not, then Described surfactant CA structural instability；

Step 24: judge the amorphous of the plurality of different preset temperature X-light scatter intensity one to one Whether the change in location maximum at peak is less than the 3rd threshold value, if it is, described surfactant CA structure is steady Fixed, if it is not, then described surfactant CA structural instability.

By the polymerization peak and the comparison at amorphous peak to the X-light scatter intensity under different temperatures, indirectly The structure of Surfactant carries out microcosmic comparison, thus judges that surfactant CA structure is in different temperatures Under stability.

Ibid an embodiment is compared, and the present embodiment first sets up reference role point model, from without many Secondary modeling.

Same, in the present embodiment, use PY approximation, theoretical in conjunction with PRISM, obtain describing and preset temperature The directly related function of described CA, total correlation function and intramolecular correlation function under degree, thus obtain XRSI.By calculating the XRSI of CA under multiple different preset temperature, thus judge the stability of described CA. Compared to the XRSI of experimental measurement macromolecule CA, the present invention can reduce experimental cost, shortens the R&D cycle, Improve work efficiency, provide important tool for experiment synthesizing new macromolecule CA.

Embodiment three

Corresponding above-described embodiment, present embodiments provides a kind of high molecular surfactant structural stability and sentences Disconnected system, in conjunction with Fig. 3 it can be seen that system described in the present embodiment specifically includes:

Acquisition module, is used for obtaining surfactant molecule configuration, molecular weight and multiple different preset temperature；

Concrete, described acquisition module includes:

Structure acquiring unit, for determining the molecular configuration of surfactant, molecular weight；

By obtaining described molecular configuration, molecular weight, so that it is determined that the molecular chain structure of surfactant.

Temperature acquiring unit, for determining the preset temperature of surfactant.

Control module, for for each preset temperature, controls respective modules respectively and performs to calculate operation, Until obtaining and the plurality of different preset temperatures X-light scatter intensity one to one:

First computing module, for the molecular configuration according to described surfactant and molecular weight, calculates Expression formula to the intramolecular correlation function of described CA；

Concrete, described first computing module includes:

First modeling unit, for according to described CA molecular configuration and molecular weight, sets up described surface activity The reference role point model of agent CA；

Concrete, described first modeling unit, according to described CA molecular configuration and molecular weight, sets up described table The semi-free chain model of multiple spot of face activating agent CA；And according to the semi-free chain model of multiple spot of described CA, will Monomer on described CA strand is reduced to application point, sets up the reference role point model of described CA；

Wherein, in described application point model, the field of force between application point only includes hydrogen bond and Van der Waals force.

First acquiring unit, for using generator matrix method to obtain the reference role of described surfactant CA Second moment between different application points in point modelAnd Fourth-order moment

First computing unit, for being calculated dividing of the reference role point model of described surfactant CA The expression formula of correlation function in son:

${\widehat{\mathrm{\&omega;}}}_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(k\right)=\frac{sin\left(B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k\right)}{B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k}{e}^{-A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{k}^2};$

Wherein, $A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>(1-N_{\mathrm{\&alpha;}\mathrm{\&gamma;}})/6,B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>,N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=\frac{1}{2}(5-3\frac{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^4>}{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{>}^2}).$

Approximate module, is used for using PY to approximate, and sets up and comprises the directly related of described surfactant CA The Guan Bi equation of function and total correlation function；

Concrete, described approximate module includes:

Second modeling unit, for according to described CA molecular configuration and molecular weight, sets up the ginseng of described CA Examine application point model；

Approximating unit, is used for using PY to approximate, and sets up and comprises the directly related of described reference role point model The Guan Bi equation of function and total correlation function:

$C_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(r\right)=(1+h_{\mathrm{\&alpha;}\mathrm{\&gamma;}}(r)-C_{\mathrm{\&alpha;}\mathrm{\&gamma;}}(r\left)\right)(e^{-u_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(r\right)/k_{B}T}-1);$

Wherein, C_αγR () is directly related function, h_αγR () is total correlation function, k_BFor Boltzmann constant, T is absolute temperature；u_αγR () is potential-energy function；

Described potential-energy function u_αγR () only includes hydrogen bond and Van der Waals force.

MBM, is used for setting up described surfactant CA macromolecule reference role point model integration side Journey；

Concrete, described MBM utilizes h (r)=∫ dr' ∫ dr " ω (| r-r'|) C (| r'-r " |) [ω (r ") and+ρ h (r ")] set up institute State macromolecule reference role point model integral equation, wherein: ρ is the number density of molecule of activating agent, C (r), H (r) and ω (r) is respectively directly related function, total correlation function and intramolecular correlation function.

Second computing module, for according to described CA molecular configuration and preset temperature, calculates described Guan Bi side Journey and described macromolecule reference role point model integral equation, obtain the direct phase of corresponding described preset temperature Close expression formula and the expression formula of total correlation function of function；

3rd computing module, for according to the expression formula of described intramolecular correlation function, directly related function Expression formula and the expression formula of total correlation function, be calculated the surfactant that described preset temperature is corresponding The X-light scatter intensity of CA；

Concrete, described 3rd computing module includes:

Second computing unit, for according to the expression formula of described intramolecular correlation function, directly related function Expression formula and the expression formula of total correlation function, obtain surfactant CA corresponding to described preset temperature Structure factor:

$\hat{S}\left(k\right)=\widehat{\mathrm{\&Omega;}}\left(k\right)+\widetilde{\mathrm{\&rho;}}\hat{h}\left(k\right)={(I-\mathrm{\&rho;}\widehat{\mathrm{\&Omega;}}(k\left)\hat{C}\right(k\left)\right)}^{-1}\widehat{\mathrm{\&Omega;}}\left(k\right),$

Wherein,It is respectively the Fourier transformation form of ω (r) and C (r)；

3rd computing unit, for according to described structure factor, is calculated described preset temperature corresponding The X-light scatter intensity of surfactant CA:

$H\left(k\right)=k\left(\underset{\mathrm{\&alpha;}\mathrm{\&gamma;}}{\&Sigma;}{b}_{\mathrm{\&alpha;}}\right(k\left)b_{\mathrm{\&gamma;}}\right(k\left){\hat{S}}_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\right(k)/N_S-{\mathrm{\&Sigma;x}}_{\mathrm{\&alpha;}}{b}_{\mathrm{\&alpha;}}^2\left(k\right)),$

Wherein, x_αFor α group component number, b_αK () is α group dispersion factor, NS is free atom group Number.

Judge module, for strong according to the plurality of different preset temperature the most described X-light scattering Degree, it is judged that the structural stability of described CA.

Wherein, described judge module includes:

Second acquisition unit, is used for obtaining the plurality of different preset temperature the most described X-light and dissipates Penetrate intensity；

First judging unit, is used for judging that the plurality of different preset temperature X-light scattering one to one is strong Whether the polymerization peak-to-peak value change maximum of degree is less than first threshold, if it is, carry out next step；As The most no, the most described surfactant CA structural instability；

Second judging unit, is used for judging that the plurality of different preset temperature X-light scattering one to one is strong Whether the change in location maximum at the polymerization peak of degree is less than Second Threshold, if it is, carry out next step； If it is not, then described surfactant CA structural instability；

3rd judging unit, is used for judging that the plurality of different preset temperature X-light scattering one to one is strong Whether the change in location maximum at the amorphous peak of degree is less than the 3rd threshold value, if it is, described surface activity Agent CA Stability Analysis of Structures, if it is not, then described surfactant CA structural instability.

In the present embodiment, high molecular surfactant CA structural stability judges system, uses PY approximation, knot Close PRISM theoretical, obtain describing the directly related function of described surfactant CA under preset temperature, total Correlation function and intramolecular correlation function, thus obtain XRSI.By calculating multiple different preset temperature The XRSI of lower CA, thus judge the structural stability of described CA.Compared to experimental measurement macromolecule CA's XRSI, the present invention can reduce experimental cost, shortens the R&D cycle, improves work efficiency, closes for experiment Novel high polymer CA is become to provide important tool.

It should be noted that in the present patent application file, the expression formula of described directly related function, total The expression formula of correlation function and the expression formula of intramolecular correlation function, according to the difference of result of calculation, can Think the expression formula of matrix form, it is also possible to for the function expression of known parameters, thus express its generation The meaning of table.

Described above to the disclosed embodiments, makes professional and technical personnel in the field be capable of or uses The present invention.Multiple amendment to these embodiments will be aobvious and easy for those skilled in the art See, generic principles defined herein can without departing from the spirit or scope of the present invention, Realize in other embodiments.Therefore, the present invention is not intended to be limited to the embodiments shown herein, And it is to fit to the widest scope consistent with principles disclosed herein and features of novelty.

Claims (10)

1. the structural stability determination methods of a high molecular surfactant, it is characterised in that including:

Obtain the molecular configuration of surfactant, molecular weight and multiple different preset temperature；

For each preset temperature, perform following steps respectively, until obtaining different default from the plurality of Temperature X-light scatter intensity one to one:

Molecular configuration according to described surfactant and molecular weight, be calculated described surfactant The expression formula of intramolecular correlation function；

Use PY approximation, set up and comprise the directly related function of described surfactant and total correlation function Guan Bi equation；

Set up described surfactant macromolecule reference role point model integral equation；

According to described molecular configuration and preset temperature, calculate described Guan Bi equation and described macromolecule with reference to making Use point model integral equation, obtain the expression formula of the directly related function of corresponding described preset temperature and total phase Close the expression formula of function；

Expression formula, the expression formula of directly related function and total correlation letter according to described intramolecular correlation function The expression formula of number, is calculated the X-light scatter intensity of the surfactant of corresponding described preset temperature；

According to from the plurality of different preset temperatures the most described X-light scatter intensity, it is judged that described The structural stability of surfactant.

Method the most according to claim 1, it is characterised in that described according to described surfactant Molecular configuration and molecular weight, be calculated the expression formula of the intramolecular correlation function of described surfactant, Including:

According to described molecular configuration and molecular weight, set up the reference role point model of described surfactant；

In the reference role point model of the employing generator matrix method described surfactant of acquisition between different application points Second momentAnd Fourth-order moment

It is calculated the expression of the intramolecular correlation function of the reference role point model of described surfactant Formula:

${\widehat{\mathrm{\&omega;}}}_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(k\right)=\frac{sin\left(B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k\right)}{B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k}{e}^{-A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{k}^2};$

Wherein, $A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>(1-N_{\mathrm{\&alpha;}\mathrm{\&gamma;}})/6,B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>,N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=\frac{1}{2}(5-3\frac{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^4>}{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{>}^2}).$

Method the most according to claim 1, it is characterised in that described employing PY approximates, sets up Comprise the directly related function of described surfactant and the Guan Bi equation of total correlation function, including:

According to described molecular configuration and molecular weight, set up the reference role point model of described surfactant；

Use PY approximation, set up directly related function and the total correlation letter comprising described reference role point model The Guan Bi equation of number:

$C_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(r\right)=(1+h_{\mathrm{\&alpha;}\mathrm{\&gamma;}}(r)-C_{\mathrm{\&alpha;}\mathrm{\&gamma;}}(r\left)\right)(e^{-u_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(r\right)/k_{B}T}-1);$

Wherein, C_αγR () is directly related function, h_αγR () is total correlation function, k_BFor Boltzmann constant, T is absolute temperature；u_αγR () is potential-energy function；

Described potential-energy function u_αγR () only includes hydrogen bond and Van der Waals force.

The most according to the method in claim 2 or 3, it is characterised in that described according to described molecule structure Type and molecular weight, set up the reference role point model of described surfactant, including:

According to described molecular configuration and molecular weight, set up the semi-free chain model of multiple spot of described surfactant；

The semi-free chain model of multiple spot according to described surfactant, by described surfactant molecule chain Monomer be reduced to application point, set up the reference role point model of described surfactant；

Wherein, in described application point model, the field of force between application point only includes hydrogen bond and Van der Waals force.

Method the most according to claim 1, it is characterised in that described set up described surfactant Macromolecule reference role point model integral equation, including:

Utilize h (r)=∫ dr' ∫ dr " ω (| r-r'|) C (| r'-r " |) [ω (r ") and+ρ h (r ")] set up described macromolecule reference role point Model integral equation, wherein: ρ is the number density of molecule of activating agent, C (r), h (r) and ω (r) are respectively straight Connect correlation function, total correlation function and intramolecular correlation function.

Method the most according to claim 1, it is characterised in that described relevant according to described intramolecular The expression formula of function, the expression formula of directly related function and the expression formula of total correlation function, it is right to be calculated Answer the X-light scatter intensity of the surfactant of described preset temperature, including:

Expression formula, the expression formula of directly related function and total correlation letter according to described intramolecular correlation function The expression formula of number, obtains the structure factor of the surfactant of corresponding described preset temperature:

$\hat{S}\left(k\right)=\widehat{\mathrm{\&Omega;}}\left(k\right)+\widetilde{\mathrm{\&rho;}}\hat{h}\left(k\right)={(I-\mathrm{\&rho;}\widehat{\mathrm{\&Omega;}}(k\left)\hat{C}\right(k\left)\right)}^{-1}\widehat{\mathrm{\&Omega;}}\left(k\right),$

Wherein,It is respectively the Fourier transformation form of ω (r) and C (r)；

According to described structure factor, the X-light of the surfactant being calculated corresponding described preset temperature dissipates Penetrate intensity:

$H\left(k\right)=k\left(\underset{\mathrm{\&alpha;}\mathrm{\&gamma;}}{\&Sigma;}{b}_{\mathrm{\&alpha;}}\right(k\left)b_{\mathrm{\&gamma;}}\right(k\left){\hat{S}}_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\right(k)/N_S-{\mathrm{\&Sigma;x}}_{\mathrm{\&alpha;}}{b}_{\mathrm{\&alpha;}}^2(k\left)\right),$

Wherein, x_αFor α group component number, b_αK () is α group dispersion factor, N_SFor free atom group Number.

Method the most according to claim 1, it is characterised in that described basis is different from the plurality of Preset temperature the most described X-light scatter intensity, it is judged that the structural stability of described surfactant, Including:

Obtain the plurality of different preset temperature the most described X-light scatter intensity；

Judge the polymerization peak-to-peak value change of the plurality of different preset temperature X-light scatter intensity one to one Whether maximum is less than first threshold, if it is, carry out next step；If it is not, then live in described surface Property agent structural instability；

Judge that the position at the polymerization peak of the plurality of different preset temperature X-light scatter intensity one to one becomes Change whether maximum is less than Second Threshold, if it is, carry out next step；If it is not, then described surface Active agent structures is unstable；

Judge the position at the amorphous peak of the plurality of different preset temperature X-light scatter intensity one to one Whether change maximum is less than the 3rd threshold value, if it is, described object construction is stable, if it is not, then institute State surfactant structure unstable.

8. a high molecular surfactant structural stability judges system, it is characterised in that including:

Acquisition module, is used for obtaining surfactant molecule configuration, molecular weight and multiple different preset temperature；

Control module, for for each preset temperature, controls respective modules respectively and performs to calculate operation, Until obtaining and the plurality of different preset temperatures X-light scatter intensity one to one:

First computing module, for the molecular configuration according to described surfactant and molecular weight, calculates Expression formula to the intramolecular correlation function of described surfactant；

Approximate module, is used for using PY to approximate, and sets up the directly related function comprising described surfactant Guan Bi equation with total correlation function；

MBM, is used for setting up described surfactant macromolecule reference role point model integral equation；

Second computing module, for according to described molecular configuration and preset temperature, calculates described Guan Bi equation With described macromolecule reference role point model integral equation, obtain the directly related of corresponding described preset temperature The expression formula of function and the expression formula of total correlation function；

3rd computing module, for according to the expression formula of described intramolecular correlation function, directly related function Expression formula and the expression formula of total correlation function, be calculated the surfactant of corresponding described preset temperature X-light scatter intensity；

Judge module, for from according to the most described X-light scattering of the plurality of different preset temperatures Intensity, it is judged that the structural stability of described surfactant.

System the most according to claim 8, it is characterised in that described first computing module includes:

First modeling unit, for according to described CA molecular configuration and molecular weight, sets up described surface activity The reference role point model of agent CA；

First acquiring unit, for using generator matrix method to obtain the reference role of described surfactant CA Second moment between different application points in point modelAnd Fourth-order moment

First computing unit, for being calculated dividing of the reference role point model of described surfactant CA The expression formula of correlation function in son:

${\widehat{\mathrm{\&omega;}}}_{\mathrm{\&alpha;}\mathrm{\&gamma;}}\left(k\right)=\frac{sin\left(B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k\right)}{B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}k}{e}^{-A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{k}^2};$

Wherein, $A_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>(1-N_{\mathrm{\&alpha;}\mathrm{\&gamma;}})/6,B_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2>,N_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2=\frac{1}{2}(5-3\frac{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^4>}{<r_{\mathrm{\&alpha;}\mathrm{\&gamma;}}^2{>}^2}).$

System the most according to claim 8, it is characterised in that described judge module includes:

Second acquisition unit, is used for obtaining the plurality of different preset temperature the most described X-light and dissipates Penetrate intensity；

First judging unit, is used for judging that the plurality of different preset temperature X-light scattering one to one is strong Whether the polymerization peak-to-peak value change maximum of degree is less than first threshold, if it is, carry out next step；As The most no, the most described surfactant structure is unstable；

Second judging unit, is used for judging that the plurality of different preset temperature X-light scattering one to one is strong Whether the change in location maximum at the polymerization peak of degree is less than Second Threshold, if it is, carry out next step； If it is not, then described surfactant structure is unstable；

3rd judging unit, is used for judging that the plurality of different preset temperature X-light scattering one to one is strong Whether the change in location maximum at the amorphous peak of degree is less than the 3rd threshold value, if it is, described surface activity Agent Stability Analysis of Structures, if it is not, then described object construction is unstable.