CN111462839A - Multiscale prediction method for thermal expansion coefficient of hardened cement mortar - Google Patents
Multiscale prediction method for thermal expansion coefficient of hardened cement mortar Download PDFInfo
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- 239000011083 cement mortar Substances 0.000 title claims abstract description 61
- 238000000034 method Methods 0.000 title claims abstract description 53
- 239000004568 cement Substances 0.000 claims abstract description 32
- 239000000203 mixture Substances 0.000 claims abstract description 15
- 239000004576 sand Substances 0.000 claims abstract description 7
- 238000002156 mixing Methods 0.000 claims abstract description 6
- 239000000378 calcium silicate Substances 0.000 claims description 39
- 229910052918 calcium silicate Inorganic materials 0.000 claims description 39
- OYACROKNLOSFPA-UHFFFAOYSA-N calcium;dioxido(oxo)silane Chemical compound [Ca+2].[O-][Si]([O-])=O OYACROKNLOSFPA-UHFFFAOYSA-N 0.000 claims description 39
- 238000012360 testing method Methods 0.000 claims description 24
- 239000012071 phase Substances 0.000 claims description 23
- 238000000265 homogenisation Methods 0.000 claims description 14
- 239000007790 solid phase Substances 0.000 claims description 12
- AXCZMVOFGPJBDE-UHFFFAOYSA-L calcium dihydroxide Chemical compound [OH-].[OH-].[Ca+2] AXCZMVOFGPJBDE-UHFFFAOYSA-L 0.000 claims description 4
- 239000000920 calcium hydroxide Substances 0.000 claims description 4
- 229910001861 calcium hydroxide Inorganic materials 0.000 claims description 4
- 230000007613 environmental effect Effects 0.000 claims description 4
- 239000011148 porous material Substances 0.000 claims description 4
- 150000004645 aluminates Chemical class 0.000 claims description 3
- 238000004364 calculation method Methods 0.000 claims description 3
- 239000002245 particle Substances 0.000 claims description 3
- 239000000463 material Substances 0.000 abstract description 14
- 239000000126 substance Substances 0.000 abstract description 8
- 238000011160 research Methods 0.000 abstract description 4
- 238000004088 simulation Methods 0.000 abstract description 4
- 238000013461 design Methods 0.000 abstract description 2
- 239000002002 slurry Substances 0.000 description 6
- JLDKGEDPBONMDR-UHFFFAOYSA-N calcium;dioxido(oxo)silane;hydrate Chemical compound O.[Ca+2].[O-][Si]([O-])=O JLDKGEDPBONMDR-UHFFFAOYSA-N 0.000 description 5
- 239000011398 Portland cement Substances 0.000 description 2
- 239000002131 composite material Substances 0.000 description 2
- 238000002474 experimental method Methods 0.000 description 2
- 238000010998 test method Methods 0.000 description 2
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 description 2
- 230000009286 beneficial effect Effects 0.000 description 1
- 238000013329 compounding Methods 0.000 description 1
- 239000004567 concrete Substances 0.000 description 1
- 239000000470 constituent Substances 0.000 description 1
- 230000007547 defect Effects 0.000 description 1
- 239000006185 dispersion Substances 0.000 description 1
- 230000000694 effects Effects 0.000 description 1
- 238000011156 evaluation Methods 0.000 description 1
- 238000001914 filtration Methods 0.000 description 1
- 239000007789 gas Substances 0.000 description 1
- 230000036571 hydration Effects 0.000 description 1
- 238000006703 hydration reaction Methods 0.000 description 1
- 239000007788 liquid Substances 0.000 description 1
- 230000000704 physical effect Effects 0.000 description 1
- 230000001737 promoting effect Effects 0.000 description 1
- 239000002994 raw material Substances 0.000 description 1
- 239000007787 solid Substances 0.000 description 1
- 239000013589 supplement Substances 0.000 description 1
- 238000010200 validation analysis Methods 0.000 description 1
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- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C60/00—Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation
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Abstract
The invention discloses a multiscale prediction method for the thermal expansion coefficient of hardened cement mortar, which comprises the following steps of firstly carrying out multiphase multiscale division on the hardened cement mortar; calculating the relative volume content of each composition phase on different scales; homogenizing the elastic modulus parameters and the temperature stress coefficients of all scales from the minimum scale to the large scale step by step; the coefficient of thermal expansion of the hardened cement mortar at the maximum scale was calculated. According to the microstructure composition of the cement mortar, the elastic performance and the thermal performance of each composition phase, including the mixing proportion of the cement mortar, the chemical composition of the cement and the type of sand, the thermal expansion coefficient is determined by adopting a multi-scale method, so that accurate parameters are provided for the mechanical and deformation performance research, the numerical simulation analysis and the structural design of a cement-based material; a multi-scale prediction model of the thermal expansion coefficient of the hardened cement mortar is established, the macroscopic performance of the cement mortar based on the microstructure is predicted, and the problem of numerous influence factors of the thermal expansion coefficient of the cement mortar is solved.
Description
Technical Field
The invention belongs to the field of multi-scale calculation and analysis of cement-based materials, and particularly relates to a multi-scale prediction method for a thermal expansion coefficient of hardened cement mortar.
Background
The thermal expansion coefficient is one of the most basic and important thermophysical characteristic parameters of cement-based materials, and directly determines the magnitude of temperature deformation. The research on the thermal expansion coefficient of cement mortar at home and abroad focuses on a macroscopic test method, and the discreteness of the given thermal expansion coefficient is large due to the reasons of raw materials, mixing ratio, environmental conditions, test equipment, test methods, operation techniques of testers and the like.
The overall properties of the composite material depend on the properties, geometry and topology of the constituent materials. The cement mortar is a complex non-uniform porous medium material, the composition substances of the cement mortar are various, solid, liquid and gas phases coexist, the cement mortar is distributed in a disordered way, the distribution scale range of the substances is wide, the substances are distributed from nanometer to micrometer and millimeter, and the composition structure of the cement mortar is greatly changed in the hydration process. The multi-scale method can consider the characteristics of the material components on different scales, realize the simulation of material performance from micro-microscopic view-macroscopic view, establish the relationship among the material component performance, the microstructure and the macroscopic performance, and fundamentally explain the change mechanism of the macroscopic performance of the material, which has great significance for promoting the research of the material.
Disclosure of Invention
The invention aims to provide a multiscale prediction method for the thermal expansion coefficient of hardened cement mortar, aiming at the defects of the prior art. According to the parameters of the mixing proportion of cement mortar, the chemical composition of cement, the type of sand and the like, the thermal expansion coefficient can be determined by adopting a multi-scale method, so that accurate parameters are provided for the research of mechanical properties and deformation properties of cement-based materials, the numerical simulation analysis and the structural design.
The purpose of the invention is realized by the following technical scheme: a multiscale prediction method of the thermal expansion coefficient of hardened cement mortar comprises the following steps:
(1) the cement mortar is divided into different scales according to the microstructure composition, and the different scales contain different phases.
(2) And (3) respectively obtaining the volume percentage of different phases in different scales divided by the step (1).
(3) Gradually adopting a homogenization method from the minimum scale to the upper part, and calculating the volume modulus of each scale according to the volume percentage content of different phases in different scales obtained in the step (2)
wherein ,kr、frThe volume modulus, volume fraction and the like of the r < th > phase of the dimension X are respectively;
k0bulk modulus, g, of the reference medium for the scale X0The shear modulus of the reference medium is dimension X; the volume modulus of the cement mortar is finally obtained
(4) Gradually adopting a homogenization method from the minimum scale to the upper part, and calculating the temperature stress coefficient of each scale according to the volume percentage content of different phases in different scales obtained in the step (2)
wherein ,κrTemperature stress coefficient of the r < th > phase of dimension X; finally obtaining the temperature stress coefficient of cement mortar
(5) The bulk modulus of the cement mortar obtained according to the step (3) and the step (4)
And temperature stress coefficient
Calculation of coefficient of thermal expansion α for Cement mortarM：
Further, the step (1) is specifically: dividing cement mortar into a scale I, a scale II, a scale III, a scale IV, a scale V and the like in sequence from small to large according to the microstructure composition; the dimension I comprises basic blocks of hydrated calcium silicate and nanopores; the dimension II comprises a calcium silicate hydrate solid phase and a gel hole after the dimension I is homogenized; the scale III comprises high-density calcium silicate hydrate after being homogenized by the scale II and low-density calcium silicate hydrate after being homogenized by the scale II; the dimension IV comprises calcium silicate hydrate, calcium hydroxide, unhydrated cement particles, aluminate and capillary pores after the homogenization of the dimension III; and the dimension V comprises the cement paste and the sand after the dimension IV is homogenized.
Further, cement mortar is obtained after the dimension V is homogenized.
Further, the step (2) is specifically: the volume percentage contents of different phases on the scales I, II, III and IV are obtained by tests, or calculated by a Powers model, a Jennings-Tennis model or a CEMHYD3D model; the volume percentage content of different phases on the scale V is obtained according to the mixing proportion of cement mortar.
Further, the test is an environmental scanning electron microscope test.
Further, the homogenization method in the step (3) and the step (4) specifically comprises the following steps: calculating a homogenized calcium silicate hydrate solid phase on the scale I by adopting a Self-consistency method, wherein a reference medium is the calcium silicate hydrate solid phase; on the scale II, the homogenized high-density calcium silicate hydrate and low-density calcium silicate hydrate are calculated by adopting a Self-consistency method, and reference media are high-density calcium silicate hydrate and low-density calcium silicate hydrate; calculating homogenized calcium silicate hydrate on a scale III by adopting a Self-consistency method, wherein a reference medium is calcium silicate hydrate; calculating homogenized cement paste on a scale IV by adopting a Self-consistency method, wherein a reference medium is the cement paste; and (5) calculating homogenized cement mortar on the scale V by adopting a Mori-Tanaka method, wherein a reference medium is cement paste.
The invention has the beneficial effects that: the invention establishes a method for predicting the thermal expansion coefficient of hardened cement mortar based on the microstructure characteristics of the cement mortar, establishes a relation between the microstructure of the cement mortar and the macroscopic thermal expansion performance, and fundamentally solves the problems of more macroscopic performance influence factors and large test data dispersion of cement-based materials. By the method, the thermal expansion coefficient of the hardened cement mortar can be conveniently determined under the condition of inputting basic parameters without testing by a testing device, and the precision level reaches the nano scale.
Drawings
FIG. 1 is a schematic view of a cement mortar multiphase multi-scale compounding process;
FIG. 2 is a graph comparing the thermal expansion coefficient test value and the predicted value of cement mortar.
Detailed Description
The technical scheme of the invention is explained in detail in the following with the accompanying drawings:
the invention relates to a multiscale prediction method for the thermal expansion coefficient of hardened cement mortar, which is used for deducing the thermal expansion coefficient of the cement mortar according to the microstructure composition of the cement mortar and the relevant performance of each composition material.
The invention relates to a multiscale prediction method for the thermal expansion coefficient of hardened cement mortar, which specifically comprises the following steps:
1, dividing cement mortar into five scales from small to large according to microstructure composition: dimension I, dimension II, dimension III, dimension IV and dimension V.
Because the occurrence mechanism of the micro-components to different material properties is different, the patent divides cement mortar into the following dimensions as shown in fig. 1 from the perspective of the thermal expansion mechanism:
the scale division method comprises the steps of firstly, dividing a cement base material into a plurality of scales, wherein the scales comprise a calcium silicate hydrate basic block (C-S-H basic building block) and a nanopore (nanoporosity), secondly, a scale II, a scale III and a scale V, wherein the scale II comprises a calcium silicate hydrate solid phase (C-S-H solid phase) and a gel pore (gel porosity), thirdly, the scale III comprises high-density calcium silicate hydrate (HD C-S-H) and low-density calcium silicate hydrate (L D C-S-H), fourthly, the scale IV comprises homogenized calcium silicate hydrate (C-S-H), Calcium Hydroxide (CH), unhydrated cement particles, aluminate and capillary pores, fourthly, the scale V comprises homogenized cement paste and sand, and the minimum scale of the scale division method is the calcium silicate hydrate solid phase, the characteristic size of the scale is in a nanometer scale, the occurrence mechanism of thermal expansion performance is reflected, and the essential properties of the cement.
And 2, respectively calculating the relative volume content of each composition phase with different scales.
The Volume fractions of the different phases on the scales I, II, III, IV are obtained by experiments (environmental scanning electron microscope experiments) or by the Powers model (Powers T.C., Brownyard T. L. Studies of the Physical Properties of the Hardened Portland centre Paste. part5.Studies of the Hardened Paste by Meansso Specific-Volume measures [ J ]. Journal of the American Concrete Institute,1947,18(6): 669. supplement), Jennings-Tennis model (Jennings H.M., Tesis P.D.model for the same purpose in the laboratory Cement in the Portland Paste. J.S. model and the Volume fractions of the different phases on the scales I, II, III, IV (MH-S.C., simulation) are calculated according to the Volume fractions of the models of the MH model, model # 3, model # 3172, model # 12. and # 12. moisture, model [ 31, model # 3, model # 5. D.S.S.: A.S. model, 3172, model # 3. D.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S. model, D.S. model, 3, D.S. model, D. model, 3, D.S.S. model, D. model, 3, D. model, and # 3, A.S. model, A.S.
Step 3, starting from the smallest scale, progressively upwards using a homogenization process which calculates the homogenized hydrated calcium silicate solid phase on scale I using the Self-Consistent method (see [ Eshelby J.D. the Determination of the Elastic Fieldof an Ellipsoidal oil addition and Related solutions [ C ]. Proceedings of the Royal society of L ondon Series A,1957 ]), calculates the homogenized hydrated calcium silicate solid phase on scale II using the Self-Consistent method to calculate the homogenized high and low density hydrated calcium silicate, the reference medium on scale II using the high and low density hydrated calcium silicate itself, calculates the homogenized hydrated calcium silicate on scale III using the Self-Consistent method to calculate the reference medium on scale 574, the reference medium on scale III using the Self-Consistent method to calculate the homogenized hydrated calcium silicate itself, the reference medium on scale IV using the Self-Consistent method to calculate the slurry, the reference medium on scale III using the cement slurry on scale [ cement slurry J.197K. 5, cement slurry, filtration method using the homogenization process of calcium silicate solid phase addition and cement slurry [ Avenuse ], the homogenization process [ Across.5 ] and cement slurry [ Across..
The bulk modulus of each scale was calculated according to the following formula
In which the upper index hom represents the homogenized, and the lower index X represents the dimension X; k is a radical ofr、frRespectively the volume modulus, volume fraction, k of the r phase of the scale0For this scale the bulk modulus of the reference medium, α0Calculated according to the following formula:
in the formula ,g0The shear modulus of the medium is referenced for this scale.
Step 4, starting from the minimum scale, upwards and gradually adopting a homogenization method, wherein the homogenization method and the reference medium adopted by each scale are consistent with those in the step 3; calculating the temperature stress coefficient of each scale according to the following formula
wherein ,κrTemperature stress coefficient of the r-th phase of the scale
Step 5, on the scale of cement mortar, according to the volume modulus
And temperature stress coefficient
The homogenized thermal expansion coefficient α was calculated using the following formulaM：
The invention does not need to be monitored by a testing device, and computer software can be programmed according to the steps by adopting languages such as MAT L AB and the like to carry out quick solution.
In order to verify the prediction effect of the method of the invention, the following tests were carried out:
the method of the invention is used for predicting the thermal expansion coefficient of hardened cement mortar which adopts ordinary Portland cement and has the water cement ratio of 0.35, 0.40, 0.45 and 0.50 respectively, adopts river sand as aggregate and is subjected to standard curing for 28 days, and the thermal expansion coefficient is compared with a test value for analysis. The test contents are as follows:
1. overview
1.1 test stock
The cement is Type I Portland Portland cement, and the chemical components are shown in Table 1.
TABLE 1 Cement Main chemical Components content
1.2 protocol
The size of the test piece is 100mm × 100mm × 500mm, the test piece is placed in a standard curing chamber for curing after pouring, the test piece is placed in an oven for testing after 28 days of curing, and a thermal expansion coefficient testing system is adopted to test the thermal expansion coefficient.
1.3 coefficient of thermal expansion of the principal phase
TABLE 2 thermal expansion coefficients of the components
2. Model validation and evaluation
The test values of the thermal expansion coefficients of the hardened cement mortars with different water cement ratios and the predicted values of the invention are shown in fig. 2. It can be seen that the predicted value is well matched with the test value, which shows that the model can better predict the precision.
The invention adopts a multi-scale method, establishes the relation between the microstructure and the macroscopic property of the cement mortar, and can predict the thermal expansion coefficient of the hardened cement mortar according to the chemical composition of the cement, the mixing proportion of the cement mortar and the type of sand, which is difficult to realize in the prior art.
Claims (6)
1. A multiscale prediction method of the thermal expansion coefficient of hardened cement mortar is characterized by comprising the following steps:
(1) the cement mortar is divided into different scales according to the microstructure composition, and the different scales contain different phases.
(2) And (3) respectively obtaining the volume percentage of different phases in different scales divided by the step (1).
(3) From the smallest scaleStarting to upwards gradually adopt a homogenization method, and calculating the volume modulus of each scale according to the volume percentage content of different phases in different scales obtained in the step (2)
wherein ,kr、frThe volume modulus, volume fraction and the like of the r < th > phase of the dimension X are respectively;
k0bulk modulus, g, of the reference medium for the scale X0The shear modulus of the reference medium is dimension X; the volume modulus of the cement mortar is finally obtained
(4) Gradually adopting a homogenization method from the minimum scale to the upper part, and calculating the temperature stress coefficient of each scale according to the volume percentage content of different phases in different scales obtained in the step (2)
wherein ,κrTemperature stress coefficient of the r < th > phase of dimension X; finally obtaining the temperature stress coefficient of cement mortar
(5) The bulk modulus of the cement mortar obtained according to the step (3) and the step (4)
And temperature stress coefficient
Calculation of coefficient of thermal expansion α for Cement mortarM：
2. The method for multi-scale prediction of the coefficient of thermal expansion of hardened cement mortar according to claim 1, characterized in that the step (1) is embodied as follows: dividing cement mortar into a scale I, a scale II, a scale III, a scale IV, a scale V and the like in sequence from small to large according to the microstructure composition; the dimension I comprises basic blocks of hydrated calcium silicate and nanopores; the dimension II comprises a calcium silicate hydrate solid phase and a gel hole after the dimension I is homogenized; the scale III comprises high-density calcium silicate hydrate after being homogenized by the scale II and low-density calcium silicate hydrate after being homogenized by the scale II; the dimension IV comprises calcium silicate hydrate, calcium hydroxide, unhydrated cement particles, aluminate and capillary pores after the homogenization of the dimension III; and the dimension V comprises the cement paste and the sand after the dimension IV is homogenized.
3. The method for multi-scale prediction of coefficient of thermal expansion of hardened cement mortar according to claim 2, wherein cement mortar is obtained after homogenization at the scale v.
4. The method for multi-scale prediction of coefficient of thermal expansion of hardened cement mortar according to claim 3, characterized in that the step (2) is embodied as: the volume percentage contents of different phases on the scales I, II, III and IV are obtained by tests, or calculated by a Powers model, a Jennings-Tennis model or a CEMHYD3D model; the volume percentage content of different phases on the scale V is obtained according to the mixing proportion of cement mortar.
5. The method for multi-scale prediction of the coefficient of thermal expansion of hardened cement mortar according to claim 4, characterized in that the test is an environmental scanning electron microscope test.
6. The method for multi-scale prediction of the coefficient of thermal expansion of hardened cement mortar according to claim 3, characterized in that the homogenization method in step (3) and step (4) is specifically: calculating a homogenized calcium silicate hydrate solid phase on the scale I by adopting a Self-consistency method, wherein a reference medium is the calcium silicate hydrate solid phase; on the scale II, the homogenized high-density calcium silicate hydrate and low-density calcium silicate hydrate are calculated by adopting a Self-consistency method, and reference media are high-density calcium silicate hydrate and low-density calcium silicate hydrate; calculating homogenized calcium silicate hydrate on a scale III by adopting a Self-consistency method, wherein a reference medium is calcium silicate hydrate; calculating homogenized cement paste on a scale IV by adopting a Self-consistency method, wherein a reference medium is the cement paste; and (5) calculating homogenized cement mortar on the scale V by adopting a Mori-Tanaka method, wherein a reference medium is cement paste.
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