Method and device for obtaining nano chemical heterogeneity of solid surface

Abstract

The invention provides a method and a device for obtaining nano chemical heterogeneity of a solid surface, and relates to the technical field of solid surface chemistry. The method comprises the following steps: correcting a total interaction force between a colloid and a solid surface based on an overlapping area fraction to obtain a corrected total interaction force; determining a primary minimum value according to the corrected total interaction force; a chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum value and the actual adhesive force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is obtained through inversion according to the chemical heterogeneity distribution function. The device executes the method. According to the method and the device for acquiring the nano chemical heterogeneity of the solid surface provided by the embodiment of the invention, the change trend of the chemical heterogeneity of the solid surface along with the salinity and the temperature can be further determined through the chemical heterogeneity of the solid surface, and the accuracy of information prediction is improved.

Description

Technical Field

[0001] The invention relates to the technical field of solid surface chemistry, and in particular to a method and a device for obtaining nanochemical heterogeneity of a solid surface. Background Art

[0002] The DLVO theory provides a theoretical tool for predicting the interactions between solid surfaces, but many experimental results contradict the results predicted by the DLVO theory when qualitatively explaining the attachment and desorption phenomena of colloids on solid surfaces. When the double-layer repulsive interaction between the colloid and the surface is dominant (the so-called "unfavorable conditions"), an energy barrier will be generated, hindering the attachment of the colloid. However, it is often reported that colloids can attach to solid surfaces even under unfavorable conditions. This deviation is attributed to the oversimplified assumption of the DLVO theory, which assumes a completely smooth and uniform surface charge on the solid surface.

[0003] In fact, natural surfaces will show a certain degree of roughness at the nanoscale, and the surface charge of solids will also show chemical heterogeneity. The physical heterogeneity of solid surfaces can be directly measured by atomic force microscopy. When the roughness is less than 1nm, its influence can be ignored, and it is not affected by temperature and salinity. Under certain technical means, the influence of physical heterogeneity can be eliminated. The chemical heterogeneity of solid surface charge is affected by changes in temperature and salinity, and its influence on the interaction between solid surfaces is more complex and important. In addition, there has been a lack of quantitative characterization methods for the chemical heterogeneity of solid surfaces. Summary of the invention

[0004] In view of the problems in the prior art, the embodiments of the present invention provide a method and device for obtaining nanochemical heterogeneity on a solid surface, which can at least partially solve the problems in the prior art.

[0005] In one aspect, the present invention provides a method for obtaining nanochemical heterogeneity of a solid surface, comprising:

[0006] The total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force;

[0007] Wherein, the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature;

[0008] The primary minimum is determined based on the corrected total interaction force;

[0009] Wherein, the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity;

[0010] The chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is obtained by inverting the chemical heterogeneity distribution function.

[0011] Wherein, determining the overlap area fraction comprises:

[0012] Identify regions of chemical heterogeneity in the region of interaction between colloids and solid surfaces;

[0013] The ratio of the area of ​​the chemically inhomogeneous region to the area of ​​the interaction region is taken as the overlap area fraction.

[0014] Wherein, the total interaction force includes the double-layer electrostatic interaction force; accordingly, the total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force, including:

[0015] The difference between 1 and the overlap area fraction is used as the first correction term of the double-layer electrostatic interaction force, and the overlap area fraction is used as the second correction term of the double-layer electrostatic interaction force between the colloid and the inhomogeneous region of the solid surface;

[0016] The total interaction force between the colloid and the solid surface is corrected according to the first correction term and the second correction term to obtain a corrected total interaction force.

[0017] Wherein, determining the chemical heterogeneity distribution function according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface comprises:

[0018] The primary minimum value is substituted into the calculation expression corresponding to the corrected total interaction force for calculation, and the actual adhesion force measurement value is used as a known quantity to obtain the chemical heterogeneity distribution function.

[0019] Wherein, the solid surface chemical heterogeneity is obtained by inverting the chemical heterogeneity distribution function, including:

[0020] The zeta potential and area of ​​the fixed surface chemical heterogeneity region are obtained by inverting the chemical heterogeneity distribution function, and the chemical heterogeneity of the solid surface is determined according to the zeta potential and the area.

[0021] Wherein, the method for obtaining the nanochemical heterogeneity of the solid surface also includes:

[0022] The variation trend of the solid surface chemical heterogeneity with salinity and temperature is determined according to the solid surface chemical heterogeneity.

[0023] Wherein, the method for obtaining the nanochemical heterogeneity of the solid surface also includes:

[0024] The migration information of bacteria and colloids in the groundwater environment is predicted based on the variation trend of the solid surface chemical heterogeneity with salinity and temperature.

[0025] In one aspect, the present invention provides a device for obtaining nanochemical heterogeneity of a solid surface, comprising:

[0026] A correction unit, used for correcting the total interaction force between the colloid and the solid surface based on the overlap area fraction to obtain a corrected total interaction force;

[0027] Wherein, the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature;

[0028] a calculation unit for determining a primary minimum based on the corrected total interaction force;

[0029] Wherein, the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity;

[0030] The acquisition unit is used to determine the chemical heterogeneity distribution function according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and invert the chemical heterogeneity of the solid surface according to the chemical heterogeneity distribution function.

[0031] In another aspect, an embodiment of the present invention provides a computer device, including a memory, a processor, and a computer program stored in the memory and executable on the processor, wherein the processor implements the following method when executing the computer program:

[0032] The total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force;

[0033] Wherein, the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature;

[0034] The primary minimum is determined based on the corrected total interaction force;

[0035] Wherein, the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity;

[0036] The chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is obtained by inverting the chemical heterogeneity distribution function.

[0037] An embodiment of the present invention provides a computer-readable storage medium, including:

[0038] The computer readable storage medium stores a computer program, and when the computer program is executed by a processor, the following method is implemented:

[0039] The total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force;

[0040] Wherein, the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature;

[0041] The primary minimum is determined based on the corrected total interaction force;

[0042] Wherein, the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity;

[0043] The chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is obtained by inverting the chemical heterogeneity distribution function.

[0044] The method and device for obtaining nanochemical heterogeneity of solid surface provided by the embodiment of the present invention correct the total interaction force between the colloid and the solid surface based on the overlap area fraction to obtain the corrected total interaction force; wherein the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature; the primary minimum is determined according to the corrected total interaction force; wherein the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface considering the chemical heterogeneity; the chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is inverted according to the chemical heterogeneity distribution function. The solid surface chemical heterogeneity can be further used to determine the trend of the solid surface chemical heterogeneity with salinity and temperature, which helps to improve the accuracy of information prediction. BRIEF DESCRIPTION OF THE DRAWINGS

[0045] In order to more clearly illustrate the embodiments of the present invention or the technical solutions in the prior art, the following briefly introduces the drawings required for use in the embodiments or the prior art descriptions. Obviously, the drawings described below are only some embodiments of the present invention. For ordinary technicians in this field, other drawings can be obtained based on these drawings without creative work. In the drawings:

[0046] Figure 1It is a schematic flow chart of a method for obtaining nanochemical heterogeneity on a solid surface provided in one embodiment of the present invention.

[0047] Figure 2 It is a schematic flow chart of a method for obtaining nanochemical heterogeneity on a solid surface provided by another embodiment of the present invention.

[0048] Figure 3 It is a schematic flow chart of a method for obtaining nanochemical heterogeneity on a solid surface provided by another embodiment of the present invention.

[0049] Figure 4 It is a schematic diagram of the Zeta potential and area effect of the fixed surface chemical heterogeneity region provided by an embodiment of the present invention.

[0050] Figure 5 It is a schematic diagram of the Zeta potential and area effect of a fixed surface chemical heterogeneity region provided by another embodiment of the present invention.

[0051] Figure 6 It is a schematic diagram of the structure of a device for obtaining nanochemical heterogeneity of a solid surface provided by an embodiment of the present invention.

[0052] Figure 7 A schematic diagram of the physical structure of a computer device provided in an embodiment of the present invention. DETAILED DESCRIPTION

[0053] In order to make the purpose, technical scheme and advantages of the embodiments of the present invention more clear, the embodiments of the present invention are further described in detail below in conjunction with the accompanying drawings. Here, the illustrative embodiments of the present invention and their descriptions are used to explain the present invention, but are not intended to limit the present invention. It should be noted that, in the absence of conflict, the embodiments in this application and the features in the embodiments can be combined with each other arbitrarily.

[0054] Figure 1 FIG. 1 is a flow chart of a method for obtaining nanochemical heterogeneity of a solid surface provided by an embodiment of the present invention. Figure 1 As shown, the method for obtaining nanochemical heterogeneity of a solid surface provided by an embodiment of the present invention includes:

[0055] Step S1: correcting the total interaction force between the colloid and the solid surface based on the overlap area fraction to obtain a corrected total interaction force;

[0056] The total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature.

[0057] Step S2: determining the primary minimum value according to the corrected total interaction force;

[0058] The primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity.

[0059] Step S3: determining a chemical heterogeneity distribution function according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and inverting the chemical heterogeneity of the solid surface according to the chemical heterogeneity distribution function.

[0060] In the above step S1, the device corrects the total interaction force between the colloid and the solid surface based on the overlap area fraction to obtain a corrected total interaction force;

[0061] The total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature. The device can be a computer device for executing the method, such as a server. The acquisition, storage, use, and processing of data in the technical solution of this application are in compliance with relevant regulations.

[0062] Before step S1, the total interaction force between the colloid and the solid surface can be obtained, such as Figure 2 The specific instructions are as follows:

[0063] Establish the relationship between van der Waals potential energy and temperature; van der Waals potential energy V LW The calculation formula is:

[0064]

[0065] Among them, r s is the radius of the colloid; λ = 100 nm is the characteristic length of the interaction; h is the separation distance between the colloid and the solid surface; A 132 is the Hamaker constant.

[0066] The relationship between the van der Waals potential energy and temperature is characterized by establishing the relationship between the Hamaker constant, dielectric constant and refractive index and temperature.

[0067] Hamaker constant A 132 The Hamaker constant A is established due to the influence of temperature 132 The relationship with temperature T is:

[0068]

[0069] Where ε is the static dielectric constant; n is the refractive index; subscripts 1, 2, and 3 represent colloid, solid surface, and NaCl solution, respectively; h w is Planck's constant, h w =6.62607015×10 -34 J·s;v e is the constant adsorption frequency, ve =3.0×10 15 s -1 . k B is the Boltzmann constant.

[0070] Furthermore, the dielectric constant and refractive index are affected by temperature, and the relationship between the dielectric constant and the refractive index and the temperature T are established respectively: ε1(T), ε2(T), ε3(T), n1(T), n2(T) and n3(T).

[0071] In summary, the van der Waals potential V is established LW Calculation formula related to temperature T:

[0072]

[0073] in:

[0074]

[0075] Establish the relationship between the electrostatic interaction potential energy of the double layer and temperature; the electrostatic interaction potential energy V EDL The calculation formula is:

[0076]

[0077] where κ is the inverse Debye length, γ is the approximate Zeta potential, and the subscripts 1 and 2 represent the colloid and the solid surface, respectively; n ∞ is the bulk ion concentration.

[0078] From the calculation formula, we can know that the potential energy of double-layer electrostatic interaction V EDL The double layer electrostatic interaction is affected by temperature. The relationship between temperature and double layer electrostatic interaction is further characterized by establishing the relationship between inverse Debye length κ, approximate Zeta potential γ and Zeta potential ζ and temperature and salinity. The inverse Debye length κ is determined by temperature and salinity. The relationship between κ and temperature T and salinity is as follows:

[0079]

[0080] Where q is the basic charge, C is the salinity, N A is Avogadro's constant, ε0 is the vacuum medium constant, ε3 refers to the above description, k B is the Boltzmann constant and T is the temperature.

[0081] The approximate Zeta potential γ is determined by the temperature T and the Zeta potential ζ. The relationship between γ, temperature T and Zeta potential ζ is established as follows:

[0082]

[0083] Where z is the valence of the electrolyte solution and q is the basic charge.

[0084] Furthermore, ζ is affected by temperature and salinity, and the relationship between ζ and temperature T and salinity C is established: ζ1(T,C) and ζ2(T,C), where the meanings of 1 and 2 can refer to the above description.

[0085] In summary, the double-layer electrostatic interaction potential V is established EDL The calculation formula related to temperature T and salinity C is:

[0086]

[0087] in

[0088] Establish the relationship between Born potential energy and temperature; Born potential energy V B The calculation formula is:

[0089]

[0090] Among them, σ c =0.5nm is the collision diameter. 132 is the Hamaker constant. From the above, we can know that the Hamaker constant A 132 The relationship with temperature T.

[0091] In summary, the Born potential V is established B The calculation formula related to temperature T is:

[0092]

[0093] in:

[0094]

[0095] Establish the relationship between hydration potential and salinity C; hydration potential V H The calculation formula is:

[0096]

[0097] Where E0 = N A C h Cλ h , is the maximum hydration repulsion energy per unit area, J / m 2 , related to salinity C; N A is Avogadro's constant; C h is the proportionality constant, defined as the "hydration constant", 1.6×10 -20 J;λ h is 0.6 nm, representing the characteristic attenuation length, and h is the separation distance between the colloid and the solid surface.

[0098] In summary, the hydration potential V is established H The calculation formula related to salinity C is:

[0099]

[0100] In summary, the calculation model of the total interaction potential energy between colloids and solid surfaces related to temperature and salinity is established as follows:

[0101] V XDLVO (T,C)=V LW (T)+V EDL (T,C)+V B (T)+V H (C)

[0102] The total interaction potential energy calculation model between colloid and solid surface related to temperature and salinity is derived for h, The total interaction force F between the colloid and the solid surface is obtained XDLVO Calculation model related to temperature and salinity:

[0103]

[0104] Determining the overlap area fraction comprises:

[0105] Identify regions of chemical heterogeneity in the region of interaction between colloids and solid surfaces;

[0106] The ratio of the area of ​​the chemically inhomogeneous region to the area of ​​the interaction region is taken as the overlap area fraction.

[0107] in, is the area of ​​chemical heterogeneity, is the area of ​​the interaction region.

[0108] The total interaction force includes the double-layer electrostatic interaction force; accordingly, the total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force, including:

[0109] The difference between 1 and the overlap area fraction is used as the first correction term of the double-layer electrostatic interaction force, and the overlap area fraction is used as the second correction term of the double-layer electrostatic interaction force between the colloid and the inhomogeneous region of the solid surface;

[0110] The total interaction force between the colloid and the solid surface is corrected according to the first correction term and the second correction term to obtain a corrected total interaction force.

[0111] like Figure 3 As shown in Figure 1, a total interaction force correction calculation model considering the chemical heterogeneity of the solid surface is established. The basic assumption of the total interaction force correction calculation model considering the chemical heterogeneity of the solid surface is that there are chemically heterogeneous regions distributed on the solid surface. When the interaction area (R ZOI ) overlaps with the chemically inhomogeneous region, let the overlap area fraction be f i There is a double-layer electrostatic interaction force between the colloid and the inhomogeneous region of the solid surface.

[0112] Taking into account the chemical heterogeneity of the solid surface, a modified calculation model of the interaction force taking into account the chemical heterogeneity of the solid surface is established:

[0113]

[0114] Further we get:

[0115]

[0116] Further we get:

[0117] F HXDLVO (T,C)=F XDLVO (T,C)-f i F EDL (T,C)+F EDL (T,C)

[0118] In the above step S2, the device determines the primary minimum value according to the corrected total interaction force;

[0119] The primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity.

[0120] The external force exerted by the AFM cantilever pushes the colloids on the probe through the energy barrier, allowing them to reach the vicinity of the primary minimum h1.

[0121] In the above step S3, the device determines the chemical heterogeneity distribution function according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and obtains the chemical heterogeneity of the solid surface by inverting the chemical heterogeneity distribution function.

[0122] A chemical inhomogeneity distribution function is determined based on the corrected total interaction force, the primary minimum, and the actual adhesion force measurement between the colloid and the solid surface, including:

[0123] The primary minimum value is substituted into the calculation expression corresponding to the corrected total interaction force for calculation, and the actual adhesion force measurement value is used as a known quantity to obtain the chemical heterogeneity distribution function.

[0124] The interaction force profile (F) between the colloid and the solid surface (considering chemical heterogeneity) HXDLVO -h) is substituted into the calculation expression corresponding to the corrected total interaction force, and the result of the expression is set equal to the actual adhesion force measurement value F ad (T,C), that is:

[0125]

[0126] Further we get:

[0127]

[0128] in

[0129]

[0130] The determination of the chemical heterogeneity distribution function is explained as follows:

[0131] Referring to the above steps, the instructions are as follows:

[0132]

[0133] Multiply both sides by get:

[0134]

[0135] Depend on and Further we get:

[0136]

[0137] in,

[0138] The solid surface chemical heterogeneity distribution function J(S,ζ) related to temperature and salinity is further obtained:

[0139]

[0140] Further we get:

[0141]

[0142] in,

[0143] The step of obtaining the solid surface chemical heterogeneity by inverting the chemical heterogeneity distribution function comprises:

[0144] The zeta potential and area of ​​the fixed surface chemical heterogeneity region are obtained by inverting the chemical heterogeneity distribution function, and the chemical heterogeneity of the solid surface is determined according to the zeta potential and the area.

[0145] The method for obtaining nanochemical heterogeneity on a solid surface also includes:

[0146] The variation trend of the solid surface chemical heterogeneity with salinity and temperature is determined according to the solid surface chemical heterogeneity.

[0147] The actual measured adhesion force F between a colloid and a solid surface at a known temperature T and salinity C ad (T, C), according to the solid surface chemical heterogeneity distribution function J(S, ζ), the solid surface chemical heterogeneity, that is, the Zeta potential ζ and area S of the surface chemical heterogeneity region are obtained.

[0148] Furthermore, when the actual adhesion force measurements under a series of temperature T and salinity C conditions are known, the variation trend of the solid surface chemical heterogeneity with salinity and temperature can be obtained.

[0149] The method for obtaining nanochemical heterogeneity on a solid surface also includes:

[0150] According to the change trend of the chemical heterogeneity of the solid surface with salinity and temperature, the migration information of bacteria and colloids in the groundwater environment is predicted. That is, this method can be applied in the application scenario of the migration prediction of bacteria and colloids. The method for obtaining the nanochemical heterogeneity of the solid surface provided by the embodiment of the present invention is further described as follows:

[0151] Embodiment 1:

[0152] Taking 10μm polystyrene colloidal microspheres, silica surface and NaCL salt solution as examples, this paper explains how to invert the adhesion values ​​of colloidal microspheres to silica surface at different salinities and temperatures to obtain the chemical heterogeneity of silica solid surface and its changing trend with salinity and temperature.

[0153] The first step is to establish a calculation model of the total interaction force between polystyrene colloidal microspheres and the silica solid surface related to salinity and temperature, including:

[0154] 1. Establishing the van der Waals potential V LW The calculation formula related to temperature T is:

[0155]

[0156] Among them A 132 (T):

[0157]

[0158] The dielectric constant ε1 and refractive index n1 of polystyrene colloid, the dielectric constant ε2 and refractive index n1 of silicon dioxide are established respectively.

[0159] The relationship between the dielectric constant ε3 and refractive index n3 of n2 and NaCL solution and the temperature T is:

[0160] ε1=0.0004533T 2 -0.0268T+2.8567

[0161] ε2=3.8

[0162] ε3=4288T -0.5403 -119.1

[0163] n1=1.5523-1.7336×10 -4 T

[0164] n2=1.382×10 -8 T 2 +8.253×10 -7 T+1.456

[0165] n3=-2.64×10 -12 T 3.851 +1.341

[0166] 2. Establishing the electrostatic interaction potential energy V of the double electric layer EDL The calculation formula related to temperature T and salinity C is:

[0167]

[0168] in

[0169] The relationship between the Zeta potential ζ1 of polystyrene colloidal microspheres and the Zeta potential ζ2 of silica and the temperature T is established respectively:

[0170] ζ1(T)=[0.01712(T-298.15)+1][4.1692log(C)-23.233] / 1000

[0171] ζ2(T)=[0.01712(T-298.15)+1][9.5842log(C)-1.9142] / 1000

[0172] 3. Establishing the Born potential V B The calculation formula related to temperature T is:

[0173]

[0174] 4. Establishing the Hydration Potential V H The calculation formula related to salinity C is:

[0175]

[0176] Where E0(C) = N A C h Cλ h .

[0177] In summary, a calculation model of the interaction potential energy between colloid and silica solid surface related to temperature and salinity was established:

[0178] V XDLVO (T,C)=V LW (T)+V EDL (T,C)+V B (T)+V H (C)

[0179] The calculation model of the interaction potential energy between the colloid and the solid surface related to temperature and salinity is derived with respect to the separation distance to obtain the interaction force F between the colloid and the solid surface. XDLVO Calculation model related to temperature and salinity:

[0180]

[0181] The second step is to establish a total interaction force correction calculation model that takes into account the chemical heterogeneity of the solid surface. The basic assumption of the total interaction force correction calculation model that takes into account the chemical heterogeneity of the solid surface is that there are chemical heterogeneity areas distributed on the solid surface. When the interaction area (R ZOI ) overlaps with the chemically inhomogeneous region, let the overlap area fraction be f i There is a double-layer electrostatic interaction force between the colloid and the inhomogeneous region of the solid surface.

[0182] Considering the chemical heterogeneity of the solid surface, the interaction force correction calculation model considering the chemical heterogeneity of the solid surface is established:

[0183]

[0184] Among them, f i is the interaction area between the colloid and the solid surface Medium chemical heterogeneity region Area fraction:

[0185] Further we get:

[0186]

[0187] Further we get:

[0188] F HXDLVO (T,C)=F XDLVO (T,C)-f i F EDL (T,C)+F HEDL (T,C)

[0189] In the third step, the external force applied by the AFM cantilever pushes the colloids on the probe through the energy barrier, allowing them to reach the vicinity of the primary minimum. The interaction force profile (F HXDLVO The primary minimum value of -h) is used as the actual adhesion measurement value F between the colloid and the solid surface. ad (T,C), that is:

[0190]

[0191] Further we get:

[0192]

[0193] in

[0194]

[0195] Further we get:

[0196]

[0197] Multiply both sides by get:

[0198]

[0199] Depend on and Further we get:

[0200]

[0201] in,

[0202] The solid surface chemical heterogeneity distribution function J(S,ζ) related to temperature T and salinity C is obtained:

[0203]

[0204] Further we get:

[0205]

[0206] in,

[0207] Step 4: Measure the adhesion force F between the colloid and the solid surface at the known temperature T and salinity C ad (T, C), according to the solid surface chemical heterogeneity distribution function J(S, ζ), the solid surface chemical heterogeneity, that is, the Zeta potential ζ and area S of the surface chemical heterogeneity region are obtained.

[0208] (1) Under the experimental conditions of temperature T = 298.15K, C = 0.001M, the adhesion force measurement data F between polystyrene colloidal microspheres and the silica solid surface was obtained by AFM measurement. ad (298.15,0.001)=40.12nN. According to the solid surface chemical heterogeneity distribution function J(S,ζ), let f i =0.1, the chemical heterogeneity of the silica solid surface, that is, the Zeta potential and area of ​​the surface chemical heterogeneity region can be obtained:

[0209]

[0210] (2) Under the experimental conditions of temperature T = 298.15K, C = 0.005M, the adhesion force measurement data F between polystyrene colloidal microspheres and the silica solid surface was obtained by AFM measurement. ad (298.15, 0.005) = 34.40 nN. According to the solid surface chemical heterogeneity distribution function J (S, ζ), let f i =0.1, the chemical heterogeneity of the silica solid surface, that is, the Zeta potential and area of ​​the surface chemical heterogeneity region can be obtained:

[0211]

[0212] (3) Under the experimental conditions of temperature T = 298.15K, C = 0.01M, the adhesion force measurement data F between polystyrene colloidal microspheres and the silica solid surface was obtained by AFM measurement. ad (298.15,0.01)=31.00nN. According to the solid surface chemical heterogeneity distribution function J(S,ζ), let f i =0.1, the chemical heterogeneity of the silica solid surface, that is, the Zeta potential and area of ​​the surface chemical heterogeneity region can be obtained:

[0213]

[0214] (4) Under the experimental conditions of temperature T = 298.15K, C = 0.05M, the adhesion force measurement data F between polystyrene colloidal microspheres and the silica solid surface was obtained by AFM measurement. ad (298.15,0.05)=24.50nN. According to the solid surface chemical heterogeneity distribution function J(S,ζ), let f i =0.1, the chemical heterogeneity of the silica solid surface, that is, the Zeta potential and area of ​​the surface chemical heterogeneity region can be obtained:

[0215]

[0216] (5) Under the experimental conditions of temperature T = 298.15K, C = 0.1M, the adhesion force measurement data F between polystyrene colloidal microspheres and the silica solid surface was obtained by AFM measurement. ad (318.15,0.1)=20.8nN. According to the solid surface chemical heterogeneity distribution function J(S,ζ), let f i =0.1, the chemical heterogeneity of the silica solid surface, that is, the Zeta potential and area of ​​the surface chemical heterogeneity region can be obtained:

[0217]

[0218] Embodiment 2:

[0219] The steps are the same as above. AFM is used to measure the adhesion between polystyrene colloidal microspheres and the silica solid surface at different temperatures. According to the solid surface chemical heterogeneity distribution function J(S,ζ), the solid surface chemical heterogeneity at different temperatures, that is, the Zeta potential ζ and area S of the surface chemical heterogeneity region, are obtained.

[0220] (1) Under the experimental conditions of temperature T = 303.15K, C = 0.01M, the adhesion force measurement data F between polystyrene colloidal microspheres and the silica solid surface was obtained by AFM measurement. ad (303.15,0.01)=28.1nN. According to the solid surface chemical heterogeneity distribution function J(S,ζ), let f i =0.1, the chemical heterogeneity of the silica solid surface, that is, the Zeta potential and area of ​​the surface chemical heterogeneity region can be obtained:

[0221]

[0222] (2) Under the experimental conditions of temperature T = 308.15K, C = 0.01M, the adhesion force measurement data F between polystyrene colloidal microspheres and the silica solid surface was obtained by AFM measurement. ad(308.15,0.01)=24.6nN. According to the solid surface chemical heterogeneity distribution function J(S,ζ), let f i =0.1, the chemical heterogeneity of the silica solid surface, that is, the Zeta potential and area of ​​the surface chemical heterogeneity region can be obtained:

[0223]

[0224] (3) Under the experimental conditions of temperature T = 313.15K, C = 0.01M, the adhesion force measurement data F between polystyrene colloidal microspheres and the silica solid surface was obtained by AFM measurement. ad (313.15,0.01)=21.2nN. According to the solid surface chemical heterogeneity distribution function J(S,ζ), let f i =0.1, the chemical heterogeneity of the silica solid surface, that is, the Zeta potential and area of ​​the surface chemical heterogeneity region can be obtained:

[0225]

[0226] (4) Under the experimental conditions of temperature T = 318.15K, C = 0.01M, the adhesion force measurement data F between polystyrene colloidal microspheres and the silica solid surface was obtained by AFM measurement. ad (318.15,0.01)=18nN.

[0227] According to the solid surface chemical heterogeneity distribution function J(S,ζ), let f i =0.1, the chemical heterogeneity of the silica solid surface, that is, the Zeta potential and area of ​​the surface chemical heterogeneity region can be obtained:

[0228]

[0229] Embodiment three:

[0230] From the adhesion force measurement data under a series of temperature T and salinity C conditions in Example 1 and Example 2, the variation trend of solid surface chemical heterogeneity with salinity and temperature can be obtained. The variation trend of silicon dioxide solid surface chemical heterogeneity with salinity and temperature is shown in Table 1 (the variation trend of solid surface chemical heterogeneity with salinity at 298.15K), Table 2 (the variation trend of solid surface chemical heterogeneity with temperature at 0.01M), Figure 4 and Figure 5 As shown. Among them, Figure 4 and Figure 5 The orange curve in represents ζ, Figure 4 and Figure 5 The blue curve in represents S.

[0231] From Table 1, Table 2, Figure 4 and Figure 5 It can be seen that the Zeta potential of the chemically heterogeneous region on the silica solid surface is highly sensitive to temperature and salinity, and the Zeta potential decreases significantly with the increase of salinity and temperature; the area of ​​the chemically heterogeneous region is highly sensitive to changes in salinity, and decreases significantly with increasing salinity; the sensitivity to temperature changes is relatively weak, and decreases slightly with increasing temperature.

[0232] Table 1

[0233]

[0234] Table 2

[0235]

[0236] The method for obtaining nanochemical heterogeneity of solid surface provided by an embodiment of the present invention corrects the total interaction force between the colloid and the solid surface based on the overlap area fraction to obtain the corrected total interaction force; wherein the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature; the primary minimum is determined according to the corrected total interaction force; wherein the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface considering the chemical heterogeneity; the chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is inverted according to the chemical heterogeneity distribution function. The solid surface chemical heterogeneity can be further used to determine the trend of the solid surface chemical heterogeneity with salinity and temperature, which helps to improve the accuracy of information prediction.

[0237] Further, determining the overlap area fraction includes:

[0238] The chemical inhomogeneity region is determined in the interaction region between the colloid and the solid surface; the above description may be referred to in the above embodiment and will not be repeated here.

[0239] The ratio of the area of ​​the chemically inhomogeneous region to the area of ​​the interaction region is taken as the overlap area fraction. The above description can be referred to in the above embodiment and will not be repeated here.

[0240] Furthermore, the total interaction force includes the double-layer electrostatic interaction force; accordingly, the total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force, including:

[0241] The difference between 1 and the overlap area fraction is used as the first correction term of the double-layer electrostatic interaction force, and the overlap area fraction is used as the second correction term of the double-layer electrostatic interaction force between the colloid and the inhomogeneous region of the solid surface; please refer to the above embodiment for description and will not be repeated here.

[0242] The total interaction force between the colloid and the solid surface is corrected according to the first correction term and the second correction term to obtain a corrected total interaction force. The above description can be made with reference to the above embodiment and will not be repeated here.

[0243] Further, the determining of the chemical heterogeneity distribution function according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface comprises:

[0244] Substituting the primary minimum into the calculation expression corresponding to the corrected total interaction force, and taking the actual adhesion force measurement value as a known quantity, the chemical heterogeneity distribution function is obtained. The above-mentioned embodiments can be referred to for explanation and will not be described in detail.

[0245] Further, the inversion of the solid surface chemical heterogeneity according to the chemical heterogeneity distribution function comprises:

[0246] The zeta potential and area of ​​the fixed surface chemical heterogeneity region are obtained by inverting the chemical heterogeneity distribution function, and the solid surface chemical heterogeneity is determined according to the zeta potential and the area. The above-mentioned embodiments can be referred to for explanation and will not be described in detail.

[0247] Furthermore, the method for obtaining nanochemical heterogeneity of a solid surface also includes:

[0248] The variation trend of the solid surface chemical heterogeneity with salinity and temperature is determined according to the solid surface chemical heterogeneity. The above-mentioned embodiments can be referred to for explanation and will not be described in detail.

[0249] Furthermore, the method for obtaining nanochemical heterogeneity of a solid surface also includes:

[0250] The migration information of bacteria and colloids in the groundwater environment is predicted according to the variation trend of the chemical heterogeneity of the solid surface with salinity and temperature.

[0251] Figure 6 FIG. 1 is a schematic diagram of a device for obtaining nanochemical heterogeneity of a solid surface provided by an embodiment of the present invention. Figure 6 As shown, the device for obtaining the nanochemical heterogeneity of the solid surface provided by the embodiment of the present invention includes a correction unit 601, a calculation unit 602 and an acquisition unit 603, wherein:

[0252] The correction unit 601 is used to correct the total interaction force between the colloid and the solid surface based on the overlap area fraction to obtain the corrected total interaction force; wherein the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature; the calculation unit 602 is used to determine the primary minimum value according to the corrected total interaction force; wherein the primary minimum value is the primary minimum value of the interaction force profile between the colloid and the solid surface considering the chemical heterogeneity; the acquisition unit 603 is used to determine the chemical heterogeneity distribution function according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and obtain the chemical heterogeneity of the solid surface by inverting the chemical heterogeneity distribution function.

[0253] Specifically, the correction unit 601 in the device is used to correct the total interaction force between the colloid and the solid surface based on the overlap area fraction to obtain the corrected total interaction force; wherein the total interaction force between the colloid and the solid surface can reflect salinity and temperature changes; the calculation unit 602 is used to determine the primary minimum value according to the corrected total interaction force; wherein the primary minimum value is the primary minimum value of the interaction force profile between the colloid and the solid surface considering chemical heterogeneity; the acquisition unit 603 is used to determine the chemical heterogeneity distribution function according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and obtain the chemical heterogeneity of the solid surface by inverting the chemical heterogeneity distribution function.

[0254] The device for obtaining nanochemical heterogeneity of solid surface provided by the embodiment of the present invention corrects the total interaction force between the colloid and the solid surface based on the overlap area fraction to obtain the corrected total interaction force; wherein the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature; the primary minimum is determined according to the corrected total interaction force; wherein the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface considering the chemical heterogeneity; the chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is inverted according to the chemical heterogeneity distribution function. The solid surface chemical heterogeneity can be further determined through the solid surface chemical heterogeneity. The trend of the solid surface chemical heterogeneity with salinity and temperature is helpful to improve the accuracy of information prediction.

[0255] The embodiments of the present invention provide an embodiment of a device for obtaining nanochemical heterogeneity of a solid surface, which can be specifically used to execute the processing flow of the above-mentioned method embodiments. Its functions are not repeated here, and reference can be made to the detailed description of the above-mentioned method embodiments.

[0256] Figure 7A schematic diagram of the physical structure of an electronic device provided in an embodiment of the present invention, such as Figure 7 As shown, the electronic device includes: a processor (processor) 701, a memory (memory) 702 and a bus 703;

[0257] The processor 701 and the memory 702 communicate with each other via a bus 703;

[0258] The processor 701 is used to call the program instructions in the memory 702:

[0259] The total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force;

[0260] Wherein, the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature;

[0261] The primary minimum is determined based on the corrected total interaction force;

[0262] Wherein, the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity;

[0263] The chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is obtained by inverting the chemical heterogeneity distribution function.

[0264] This embodiment discloses a computer program product, the computer program product including a computer program, and when the computer program is executed by a processor, the following method is implemented:

[0265] The total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force;

[0266] Wherein, the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature;

[0267] The primary minimum is determined based on the corrected total interaction force;

[0268] Wherein, the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity;

[0269] The chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is obtained by inverting the chemical heterogeneity distribution function.

[0270] This embodiment provides a computer-readable storage medium, wherein the computer-readable storage medium stores a computer program, and when the computer program is executed by a processor, the following method is implemented:

[0271] The total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force;

[0272] Wherein, the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature;

[0273] The primary minimum is determined based on the corrected total interaction force;

[0274] Wherein, the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity;

[0275] The chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is obtained by inverting the chemical heterogeneity distribution function.

[0276] Those skilled in the art will appreciate that embodiments of the present invention may be provided as methods, systems, or computer program products. Therefore, the present invention may take the form of a complete hardware embodiment, a complete software embodiment, or an embodiment combining software and hardware. Moreover, the present invention may take the form of a computer program product implemented on one or more computer-usable storage media (including but not limited to disk storage, CD-ROM, optical storage, etc.) containing computer-usable program code.

[0277] The present invention is described with reference to flowcharts and / or block diagrams of methods, devices (systems), and computer program products according to embodiments of the present invention. It should be understood that each process and / or block in the flowchart and / or block diagram, as well as the combination of processes and / or blocks in the flowchart and / or block diagram, can be implemented by computer program instructions. These computer program instructions can be provided to a processor of a general-purpose computer, a special-purpose computer, an embedded processor, or other programmable data processing device to produce a machine, so that the instructions executed by the processor of the computer or other programmable data processing device generate instructions for implementing the processes in the flowchart and / or block diagram. Figure 1 A process or multiple processes and / or boxes Figure 1 A device that provides the functions specified in a block or multiple blocks.

[0278] These computer program instructions may also be stored in a computer-readable memory capable of directing a computer or other programmable data processing device to operate in a specific manner, so that the instructions stored in the computer-readable memory produce an article of manufacture comprising an instruction device, which implements the process Figure 1 A process or multiple processes and / or boxes Figure 1 A function specified in one or more boxes.

[0279] These computer program instructions can also be loaded onto a computer or other programmable data processing device so that a series of operating steps are executed on the computer or other programmable device to produce a computer-implemented process, thereby providing instructions for implementing the process. Figure 1 A process or multiple processes and / or boxes Figure 1 A step that specifies a function in one or more boxes.

[0280] In the description of this specification, the description with reference to the terms "one embodiment", "a specific embodiment", "some embodiments", "for example", "example", "specific example", or "some examples" means that the specific features, structures, materials or characteristics described in conjunction with the embodiment or example are included in at least one embodiment or example of the present invention. In this specification, the schematic representation of the above terms does not necessarily refer to the same embodiment or example. Moreover, the specific features, structures, materials or characteristics described may be combined in any one or more embodiments or examples in a suitable manner.

[0281] The specific embodiments described above further illustrate the objectives, technical solutions and beneficial effects of the present invention in detail. It should be understood that the above description is only a specific embodiment of the present invention and is not intended to limit the scope of protection of the present invention. Any modifications, equivalent substitutions, improvements, etc. made within the spirit and principles of the present invention should be included in the scope of protection of the present invention.

Claims

1. A method for obtaining nanochemical heterogeneity of a solid surface, characterized in that: include: The total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force; Wherein, the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature; The primary minimum is determined based on the corrected total interaction force; Wherein, the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity; The chemical heterogeneity distribution function is determined according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and the chemical heterogeneity of the solid surface is obtained by inverting the chemical heterogeneity distribution function.

2. The method for obtaining nanochemical heterogeneity of solid surface according to claim 1, characterized in that: Determining the overlap area fraction comprises: Identify regions of chemical heterogeneity in the region of interaction between colloids and solid surfaces; The ratio of the area of ​​the chemically inhomogeneous region to the area of ​​the interaction region is taken as the overlap area fraction.

3. The method for obtaining nanochemical heterogeneity of solid surface according to claim 1, characterized in that: The total interaction force includes the double-layer electrostatic interaction force; accordingly, the total interaction force between the colloid and the solid surface is corrected based on the overlap area fraction to obtain the corrected total interaction force, including: The difference between 1 and the overlap area fraction is used as the first correction term of the double-layer electrostatic interaction force, and the overlap area fraction is used as the second correction term of the double-layer electrostatic interaction force between the colloid and the inhomogeneous region of the solid surface; The total interaction force between the colloid and the solid surface is corrected according to the first correction term and the second correction term to obtain a corrected total interaction force.

4. The method for obtaining nanochemical heterogeneity of solid surface according to claim 1, characterized in that: The method of determining the chemical heterogeneity distribution function according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface comprises: The primary minimum value is substituted into the calculation expression corresponding to the corrected total interaction force for calculation, and the actual adhesion force measurement value is used as a known quantity to obtain the chemical heterogeneity distribution function.

5. The method for obtaining nanochemical heterogeneity of solid surface according to claim 1, characterized in that: The step of obtaining the solid surface chemical heterogeneity by inverting the chemical heterogeneity distribution function comprises: The zeta potential and area of ​​the fixed surface chemical heterogeneity region are obtained by inverting the chemical heterogeneity distribution function, and the chemical heterogeneity of the solid surface is determined according to the zeta potential and the area.

6. The method for obtaining nanochemical heterogeneity of a solid surface according to any one of claims 1 to 5, characterized in that: The method for obtaining nanochemical heterogeneity on a solid surface also includes: The variation trend of the solid surface chemical heterogeneity with salinity and temperature is determined according to the solid surface chemical heterogeneity.

7. The method for obtaining nanochemical heterogeneity of solid surface according to claim 6, characterized in that: The method for obtaining nanochemical heterogeneity on a solid surface also includes: The migration information of bacteria and colloids in the groundwater environment is predicted based on the variation trend of the solid surface chemical heterogeneity with salinity and temperature.

8. A device for obtaining nanochemical heterogeneity of a solid surface, characterized in that: include: A correction unit, used for correcting the total interaction force between the colloid and the solid surface based on the overlap area fraction to obtain a corrected total interaction force; Wherein, the total interaction force between the colloid and the solid surface can reflect the changes in salinity and temperature; a calculation unit for determining a primary minimum based on the corrected total interaction force; Wherein, the primary minimum is the primary minimum of the interaction force profile between the colloid and the solid surface taking into account chemical heterogeneity; The acquisition unit is used to determine the chemical heterogeneity distribution function according to the corrected total interaction force, the primary minimum value and the actual adhesion force measurement value between the colloid and the solid surface, and invert the chemical heterogeneity of the solid surface according to the chemical heterogeneity distribution function.

9. A computer device comprising a memory, a processor and a computer program stored in the memory and executable on the processor, characterized in that: When the processor executes the computer program, the method according to any one of claims 1 to 7 is implemented.

10. A computer-readable storage medium, characterized in that: The computer-readable storage medium stores a computer program, and when the computer program is executed by a processor, the method according to any one of claims 1 to 7 is implemented.

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