Diffusion study of chloride and binding of water in concrete pore by molecular dynamics simulation using LAMMPS

2021 ◽  
Vol 12 (3) ◽  
pp. 88
Author(s):  
Md. Shafiqul Islam ◽  
Sayem Ahmeed ◽  
Sumon Kumar Ghosh
Keyword(s):  
Diffusion Coefficient ◽  
Chloride Ion ◽  
System Size ◽  
Dynamics Simulation ◽  
Chloride Diffusion ◽  
Water Molecules ◽  
Chloride Diffusion Coefficient ◽  
Average Value ◽  
Temperature And Pressure ◽  
Different Characteristics

As for the communication between concrete and the particles, the surface shows Cl− shock and Na adsorption. With expanded particle focus, the solid adsorption capacity for Cl− is upgraded as a result of a detailed overview of the dynamic molecular simulation studies examining the chloride diffusion coefficient. Different characteristics of the diffusion process, including molecular models, system-size effects, temperature, and pressure conditions, and the type of protection, are discussed. This paper focus on Molecular Dynamic Simulation to determine the diffusion coefficient of chloride ion and water molecules in concrete. The diffusion coefficient for NaCl salt obtained 6.60178x10-10m2/s and the diffusion coefficient for CaCl2 salt obtained 7.29305x10-10m2/s. So, the average chloride diffusion coefficient 6.9475x10-10m2/s. Diffusion coefficient obtained from graph 5.562x10-10m2/s. Diffusion coefficients for water molecules for NaCl solution are 6.125x10-10m2/s, 6.85x10-10m2/s, 1.044x10-10m2/s, 8.525x10-10m2/s, 6.25x10-10m2/s. diffusion coefficient of water molecules in CaCl2 solution are 4.5x10-10m2/s, 6.725x10-10m2/s, 1.254x10-10m2/s, 7.725x10-10m2/s, 1.3x10-10m2/s. Average value obtained for water molecule diffusion are 4.545x10-10m2/s, 7.4062x10-10m2/s and 1.149x10-10m2/s. This diffusion of chloride effects the binding of water in concrete pore.

Design and Impermeability of High Durability Reinforced Concrete Segment

2012 ◽  
Vol 174-177 ◽  
pp. 1199-1203
Author(s):  
Xin'gang Wang ◽  
Fang Bin Chen ◽  
Xu Na Ye ◽  
Wei Qin Zhang
Keyword(s):  
Diffusion Coefficient ◽  
Reinforced Concrete ◽  
Water Pressure ◽  
Chloride Ion ◽  
Concrete Cover ◽  
Chloride Diffusion ◽  
Shield Tunnel ◽  
Main Body ◽  
Chloride Diffusion Coefficient ◽  
High Durability

Reinforced concrete segment is the main body of structure in shield tunnel, and its durability has an important effect on shield tunnel. The durability of High Durability Reinforced Concrete Segment (abbr. HDRC Segment) was investigated by impermeability of single segment and chloride diffusion coefficient of core-drilling. HDRC Segment had high compact cover, concrete cover and high strength structural-layer. Permeable height of HDRC Segment was approximately 0.5 mm when Keeping 4 hours in the constant water pressure of 0.8 MPa, and chloride diffusion coefficient of HDRC Segment was only 4.9×10－13m2/s by NEL method. As for Water impermeability and chloride ion penetration resistance, HDRC Segment is far superior to those of conventional Reinforced Concrete Segment (abbr. conventional RC Segment). It is advantageous to increase durability of HDRC Segment and service life of tunnel engineering.

Effect of Sulfate Ion to Chloride Ion Transmission in Concrete under Flexural Load

2011 ◽  
Vol 90-93 ◽  
pp. 2798-2802
Author(s):  
Zu Quan Jin ◽  
Qi Chang Zhuang ◽  
Jie Lin
Keyword(s):  
Diffusion Coefficient ◽  
Chloride Ion ◽  
Chloride Diffusion ◽  
Main Role ◽  
Chloride Diffusion Coefficient ◽  
Ion Diffusion ◽  
Sulfate Ion ◽  
Load Rate ◽  
Negative Effect ◽  
Ion Transmission

Chloride ion ingression into concrete under flexural load is investigated in the paper. Concrete specimens have been stored in 3.5%NaCl solution or 3.5%NaCl + 5%Na2SO4 solution for 210 days. The effect of flexural load and sulfate ion to chloride ion transmission is studied. The experimental results show that sulfate ion reduces chloride ion transmission in concrete. But when concrete under flexural load, Sulfate ion has plus and minus effect on chloride ion ingression into concrete. When the flexural load rate is low, sulfate ion reduces chloride ion transmission. But the flexural load is high, the negative effect of sulfate corrosion plays a main role. When concrete exposed to 3.5%NaCl+5%Na2SO4 solution, chloride ion diffusion coefficient of concrete in tensile zone increases with flexural load. And in compressive zone, the chloride diffusion coefficient decreases first and then raises with increasing flexural load.

scholarly journals Experimental Study on Chloride Ion Diffusion in Concrete under Uniaxial and Biaxial Sustained Stress

Materials ◽  
2020 ◽  
Vol 13 (24) ◽  
pp. 5717
Author(s):  
Xiaokang Cheng ◽  
Jianxin Peng ◽  
C.S. Cai ◽  
Jianren Zhang
Keyword(s):  
Diffusion Coefficient ◽  
Compressive Stress ◽  
Stress Level ◽  
Chloride Concentration ◽  
Chloride Ion ◽  
Chloride Ions ◽  
Chloride Diffusion ◽  
Chloride Diffusion Coefficient ◽  
Ion Diffusion ◽  
Chloride Ion Diffusion

The existence of axial and lateral compressive stress affect the diffusion of chloride ions in concrete will lead to the performance degradation of concrete structure. This paper experimentally studied the chloride diffusivity properties of uniaxial and biaxial sustained compressive stress under one-dimensional chloride solution erosion. The influence of different sustained compressive stress states on chloride ion diffusivity is evaluated by testing chloride concentration in concrete. The experiment results show that the existence of sustained compressive stress does not always inhibit the diffusion of chloride ions in concrete, and the numerical value of sustained compressive stress level can affect the diffusion law of chloride ions in concrete. It is found that the chloride concentration decreases most when the lateral compressive stress level is close to 0.15 times the compressive strength of concrete. In addition, the sustained compressive stress has a significant effect on chloride ion diffusion of concrete with high water/cement ratio. Then, the chloride diffusion coefficient model under uniaxial and biaxial sustained compressive stress is established based on the apparent chloride diffusion coefficient. Finally, the results demonstrate that the chloride diffusion coefficient model is reasonable and feasible by comparing the experimental data in the opening literature with the calculated values from the developed model.

scholarly journals Evaluation of Chloride Resistance of Early-Strength Concrete Using Blended Binder and Polycarboxylate-Based Chemical Admixture

2020 ◽  
Vol 10 (8) ◽  
pp. 2972 ◽  
Author(s):  
Taegyu Lee ◽  
Jaehyun Lee
Keyword(s):  
Compressive Strength ◽  
Diffusion Coefficient ◽  
Portland Cement ◽  
Chloride Ion ◽  
Strength Criterion ◽  
Chloride Ions ◽  
Chloride Diffusion ◽  
Chloride Diffusion Coefficient ◽  
Characteristic Strength ◽  
Early Strength

The mixing proportions of concrete were examined with regard to the durability performance and early strength in coastal areas. Research was conducted to improve the C24 mix (characteristic strength of 24 MPa). C35 concrete (characteristic strength of 35 MPa) was selected as a comparison group, as it exhibits the minimum proposed strength criterion for concrete in the marine environment. To secure the early strength of the C24 concrete, 50% of the total ordinary Portland cement (OPC) binder was replaced with early Portland cement (EPC); and to provide durability, 20% was substituted with ground granulated blast-furnace slag (GGBS). In addition, a polycarboxylate (PC)-based superplasticizer was used to reduce the unit water content. The compressive strength, chloride ion diffusion coefficient, chloride penetration depth, and pore structure were evaluated. After one day, the compressive strength improved by 40% when using EPC and GGBS, and an average increase of 20% was observed over 91 days. EPC and GGBS also reduced the overall porosity, which may increase the watertightness of concrete. The salt resistance performance was improved because the rapid early development of strength increased the watertightness of the surface and immobilization of chloride ions, decreasing the chloride diffusion coefficient by 50%.

Testing for the Influence of the Degree of Water Saturation of Concrete upon Chloride Diffusivity

2013 ◽  
Vol 405-408 ◽  
pp. 2639-2643
Author(s):  
Van Tuan Le ◽  
Yong Lai Zheng ◽  
Shu Xin Deng
Keyword(s):  
Diffusion Coefficient ◽  
Water Saturation ◽  
Chloride Ion ◽  
Test Method ◽  
Chloride Diffusion ◽  
Chloride Diffusion Coefficient ◽  
Ion Diffusion ◽  
Chloride Diffusivity ◽  
Water Saturated ◽  
The Impact

In order to estimate the impact of the degree of water saturation of concrete to chloride ion diffusion coefficient, the experimental setup allows to measure chloride diffusion coefficient through nonsaturated concrete specimens with controlled degree of water saturated. The different degrees of water saturation of concrete specimens were obtained, by using saturated solutions of NaCl and KCl controlling the relative humidity, then applied Rapid Cloride Permeability Test method to measure the cloride diffusion coefficient. The test results show that chloride diffusion coefficient depends strongly on the degree of water saturation of concrete. Beside, this relationship shows the non-linear relationship, in which, chloride diffusion coefficient reachs the maximum value in fully saturated concrete specimens.

scholarly journals Experimental Investigation on Chloride Diffusion Coefficient of Self-compacting Concrete in the Oman Sea

2020 ◽  
Author(s):  
Naser Nosratzehi ◽  
Mahmoud Miri
Keyword(s):  
Diffusion Coefficient ◽  
Environmental Conditions ◽  
Chloride Concentration ◽  
Chloride Ion ◽  
Chloride Diffusion ◽  
Chloride Diffusion Coefficient ◽  
Atmospheric Conditions ◽  
Self Compacting Concrete ◽  
Normal Concrete ◽  
Oman Sea

Chloride ion penetration is an important parameter influencing the service life of a concrete structure, especially in aggressive environments. Severe chloride-induced corrosion of reinforced concretes has been reported in the southern part of Iran in the region of Oman Sea. In this paper, the effect of different environmental conditions of the Oman Sea on chloride penetration and mechanical properties of self-compacting concrete (SCC) and normal concrete (NC) is investigated. For this purpose, a number of prismatic specimens were exposed to various environmental conditions such as tide, submersion and atmospheric conditions. Surface chloride concentration and diffusion coefficient of SCC in these zones were calculated based on Fick’s second law, at 28, 90 and 150 days and compared with NC. Based on the values obtained in this study, relationships are proposed for concrete permeability and surface chloride of self-compacting concrete (SCC) at different ages in different aggressive environments. By determining the corrosion time based on these relations, it is observed that for a given water-to-cement ratio, the self-compacting concrete (SCC) has higher durability compared to normal concrete (NC).

scholarly journals Model for the Patterns of Salt-Spray-Induced Chloride Corrosion in Concretes under Coupling Action of Cyclic Loading and Salt Spray Corrosion

Processes ◽  
2019 ◽  
Vol 7 (2) ◽  
pp. 84 ◽  
Author(s):  
Ruixue Liu ◽  
Huiguang Yin ◽  
Lianying Zhang ◽  
Bing Li ◽  
Xianbiao Mao
Keyword(s):  
Diffusion Coefficient ◽  
Gas Flow ◽  
Salt Spray ◽  
Chloride Ion ◽  
Flow Equation ◽  
Chloride Diffusion ◽  
Second Law ◽  
Chloride Diffusion Coefficient ◽  
Salt Spray Corrosion ◽  
Convection Diffusion

In this study, the patterns of chloride ion erosion of unsaturated concrete subjected to the coupling action of cyclic loading and salt spray corrosion were experimentally studied, and Fick’s Second Law was used to fit the variation patterns of chloride concentration to obtain the chloride diffusion coefficient. Accordingly, we have established a mathematical model that describes chloride transport in unsaturated concrete and accounts for the effects of gas flow, water migration, convection diffusion, and capillary action. This model is composed of three equations—the gas flow equation, the solution flow equation, and the solute convection–diffusion equation. The COMSOL numerical analysis software was subsequently used to obtain solutions for this model, based on parameters such as porosity and the chloride diffusion coefficient. Subsequently, the saturation, relative permeability, and the chloride ion concentration during the first corrosion cycle were analyzed. The numerical results were consistent with the experimental values and were therefore superior to the values obtained using Fick’s Second Law.

scholarly journals Applicability of Diffuse Ultrasound to Evaluation of the Water Permeability and Chloride Ion Penetrability of Cracked Concrete

Sensors ◽  
2018 ◽  
Vol 18 (12) ◽  
pp. 4156 ◽  
Author(s):  
Eunjong Ahn ◽  
Seongwoo Gwon ◽  
Hyunjun Kim ◽  
Chanyoung Kim ◽  
Sung-Han Sim ◽  
...  
Keyword(s):  
Diffusion Coefficient ◽  
Water Flow ◽  
Flow Rate ◽  
Water Permeability ◽  
Water Flow Rate ◽  
Chloride Ion ◽  
Chloride Diffusion ◽  
Chloride Diffusion Coefficient ◽  
Cracked Concrete ◽  
Diffuse Ultrasound

This study aims to explore the applicability of diffuse ultrasound to the evaluation of water permeability and chloride ion penetrability of cracked concrete. Lab-scale experiments were conducted on disk-shaped concrete specimens, each having a different width of a penetrating crack that was generated by splitting tension along the centerline. The average crack width of each specimen was determined using an image binarization technique. The diffuse ultrasound test employed signals in the frequency range of 200 to 440 kHz. The water flow rate was measured using a constant water-head permeability method, and the chloride diffusion coefficient was determined using a modified steady-state migration method. Then, the effects of crack width on the diffusion characteristics of ultrasound (i.e., diffusivity, dissipation), water flow rate, and chloride diffusion coefficient are investigated. The correlations between the water flow rate and diffuse ultrasound parameters, and between the chloride diffusion coefficient and diffuse ultrasound parameters, are examined. The results suggest that diffuse ultrasound is a promising method for assessing the water permeability and chloride ion penetrability of cracked concrete.

Durability Design of Marine Concrete Structure Considering the Influence of Load

2015 ◽  
Vol 744-746 ◽  
pp. 59-64 ◽  
Author(s):  
Jian Bo Xiong ◽  
Chun Lin Deng
Keyword(s):  
Diffusion Coefficient ◽  
Tensile Stress ◽  
Concrete Structure ◽  
High Performance Concrete ◽  
Chloride Ion ◽  
Chloride Diffusion ◽  
Chloride Diffusion Coefficient ◽  
Ion Diffusion ◽  
Exponential Relationship ◽  
Chloride Ion Diffusion

In this paper, based on accelerated testing indoors, under the action of bending tensile stress on a marine high-performance concrete chloride ion diffusion coefficient, the results show that: Subjected to bend under the action of tensile stress and do not withstand the test piece chloride diffusion coefficient increases with increasing stress levels, different tensile stress and does not bear the stress of the concrete chloride ion diffusion coefficient ratio (Dη/D0) exponential relationship with the stress level (η). In addition, addition, for a domestic Bridge, preliminary design to determine typical parameters of components and their environment is proposed to consider the durability of concrete structure load control index calculation method, to establish a "design life - chloride ion diffusion coefficient controlled targets" the correspondence between, for similar projects designed to provide a reference durability.

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