Simulation method for the effect of hpam hydrolysis degree on gas-liquid interface properties of hpam-surfactant compound system
A surfactant, gas-liquid interface technology, used in chemical instruments and methods, drilling compositions, etc., can solve problems such as difficulty in experimental methods, rarely examining the influence of the degree of hydrolysis of HPAM, and explaining the mechanism of action, etc. Accurate calculation results, fast calculation, and cost reduction
Inactive Publication Date: 2018-07-06
CHINA UNIV OF PETROLEUM (EAST CHINA)
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Problems solved by technology
There are many factors affecting the interfacial properties of polymer-surfactant aggregates, mainly their concentration, electrical properties, polar groups, and alkyl chain lengths of surfactants; about the stability of polymers to foam systems The research mainly focuses on the experimental field. However, the experimental method is difficult to explain the mechanism of action from the microscopic point of view. The simulation method can supplement the insufficiency of the experimental means. Therefore, the molecular simulation research on the influence of polymers on surfactant-polymer complex systems came into being.
However, in the current prior art, there are few studies on the stability of polymers on the foam system, and the influence of the degree of hydrolysis of HPAM is rarely investigated.
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Embodiment 1
[0032] The simulation method of the influence of HPAM hydrolysis degree on the gas-liquid interface properties of HPAM-surfactant compound system specifically includes the following steps:
[0033] Step 1, construct the molecular structure,
[0034] According to the relevant experimental and theoretical literature of partially hydrolyzed polyacrylamide, the molecular structure of partially hydrolyzed polyacrylamide was obtained, and the partially hydrolyzed polyacrylamide molecules, surfactant molecules and water molecules were constructed using the Sketch tool in the Materials Studio software. Change of -COO- and -CO-NH in polyacrylamide molecule 2 to simulate different degrees of hydrolysis, and perform charge assignment and preliminary optimization on it.
[0035] The initial molecular configuration of partially hydrolyzed polyacrylamide is shown in figure 1 , figure 2 and image 3 ,in, figure 1 Chinese-COO - :-CO-NH 2 =1:9, figure 2 Chinese-COO - :-CO-NH 2 =1...
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The invention discloses a method for simulating the influences of the HPAM hydrolysis degree on the property of a gas-liquid interface of an HPAM and surface active agent compound system. The HPAM hydrolysis degree is changed through a molecular dynamics simulating method, so the influences of polyacrylamide of different hydrolysis degrees on the property of the gas-liquid interface of the surface active agent are inspected. By means of the method, the distribution situations of HPAM of different hydrolysis degrees on the gas-liquid interface are studied through the equilibrium configuration of the compound system, and the influences of the HPAM hydrolysis degree on the property of the gas-liquid interface of the surface active agent are inspected through parameters of a radial distribution function, a density distribution curve and the like. By means of the method, the mutual acting mechanism of polymers and the surface active agent can be explained from the micro perspective, and certain theoretical guidance is provided for studying the property of the gas-liquid interface of the HPAM and surface active agent compound system.
Description
technical field [0001] The invention relates to the field of research on the gas-liquid interface and self-assembly characteristics of water-soluble polymers, in particular to a simulation method for the influence of polyacrylamide (HPAM) hydrolysis degree on the gas-liquid interface properties of HPAM-surfactant compound system. Background technique [0002] Tertiary oil recovery technology mainly includes four technology series: chemical flooding, miscible flooding, microbial flooding and thermal flooding. Among them, the chemical flooding method is more commonly used in my country, and it also includes surfactant flooding, polymer flooding, and binary and three-element compound flooding. Foam flooding is a promising tertiary oil recovery technology developed on the basis of multi-component flooding, because it can increase the swept area and oil washing efficiency, significantly improve the recovery of crude oil, and is simple to operate and low in development costs. It ...
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IPC IPC(8): C09K8/584C09K8/588
CPCC09K8/584C09K8/588
Inventor 孙霜青朱倩倩徐建昌王洪兵李春玲胡松青
Owner CHINA UNIV OF PETROLEUM (EAST CHINA)