奈米微粒加熱系統一直有準確度不佳且加熱效率不高因而導致應用於生醫上治療效率不佳的問題存在。由於此技術的使用場合（生物熱治療），欲有較佳之治療效率，對於準確控制溫度的要求相當高，而目前在溫度計算上皆有高估的情形（誤差約11%）。且加熱之微粒粒徑與照射波長亦不是吸收效果較佳之組合。考慮液體中添加奈米微粒後，液體會因為微粒在液體中的運動的關係，對液體之熱導係數產生些微提升的影響，在導入溫度計算的模型重新估算系統溫度可以提高溫度計算的準確。而就目前研究顯示，奈米微粒之製程技術已逐漸成熟，不在限定特殊之粒徑，因此可以利用不同粒徑對應雷射波長會有不同吸收效率的關係，以電腦模擬找出吸收效率較佳之粒徑、波長與微粒溫度估算上，做整合性的理論分析。有鑑於此，本研究將建構一套完整的理論模型與電腦模擬方法，以討論加熱效率提升之相關問題。
提高加熱效率一般可朝兩方向進行，第一為尋找吸收效率相對較佳之粒徑與波長組合，其二為降低液體之熱導係數增量。有鑑於此，本文乃利用布朗動力模擬配合格林久保法以求得微粒熱導係數增量，接著代入修正Hamilton-Crosser方程式，估算求得液體之熱導係數增量。在計算系統溫度上，除了以液體之熱導係數增量來修正溫度計算的模型之外，在微粒的吸收效率上，利用米氏定理配合古典靜電力學求取微粒在不同參數下的吸收效率因子（如粒徑、照射雷射波長），藉著調控此二參數得到較佳之吸收效率因子。以液體熱導係數增量與吸收效率因子對系統溫度的影響來提高加熱效率。最後設計一個分析流程，設計生物熱治療案例加以印證。
本文在計算熱導係數增量時將液體黏滯係數受溫度影響產生之變化納入考慮，使得熱導係數增量的計算上之平均誤差由17.7%減少至8.6%，證實黏滯係數之影響確實不可忽略。而在系統溫度的計算上，誤差也減少了10%，說明了液體熱導係數增量的考慮有其必要。在提升效率上，利用粒徑與雷射波長的搭配，代入生物熱治療之應用實例中，使加熱治療之效率提升了約17.4%。設計案例證實了本文所提理論及流程確實可行。

　　In the past, the heating system of nanometer particles has been perplexed by the problem of poor inaccuracy and low heating efficiency. Since the technology is of high demand on exact control of temperature (biological laser photothermal therapy), the error of temperature over-estimation(approximately 11%) is still not acceptable. In addition, the diameter and wavelength of nanoparticles in heating process are not in the best combination of absorbing effect. After considering adding nanoparticles in liquid, the thermal conductivity of the liquid will slightly arise because of the particles’ motion within the liquid. By putting the thermal conductivity of particles’ affection into the temperature estimation model, the accuracy of system temperature estimation can be enhanced. As the present research shows, the fabrication technology of nanoparticles is becoming more and more mature. Free from the limit of specific diameter, one can use different levels of diameter and its corresponding laser wavelength to observe the relation of absorbing effect. Therefore, computer simulation can be used to find out the diameter and wavelength with the best effect, together with the temperature estimation of the particle, and also completing the theory with a integrative analysis. To sum up, this research is to construct a complete modeling and computer simulation technique, and to study the related issues of upgrading heating efficiency.

　　Heating efficiency can be improved by two ways. First is to find a better absorbing efficiency and its corresponding combination of diameter and wavelength, and the second is to cut down the increment of thermal conductivity of liquid. The paper makes use of molecular dynamics simulation, along with Green-Kubo formula to obtain the increment of thermal conductivity of nanoparticles. Then, by adding in the modified Hamilton-Crosser equation, the increment of thermal conductivity of liquid can be obtained. When computing the system temperature, the use of thermal conductivity increment of liquid to modify the model of temperature calculation, and the absorbing efficiency of particles, Mie’s theory and classical electrostatic dynamics are employed to obtain absorbing efficiency factors of particles for different parameters (ex, diameter and laser wavelength). By adjusting these two parameters, one can obtain better absorbing efficiency factors. Heating efficiency is, therefore, improved via the influence of both the increment of thermal conductivity of liquid and the heating efficiency factors on system temperature. At the end, an analytical process is designed to show the effectiveness of biological laser photothermal therapy.

　　By taking the viscosity of liquid associated with temperature variation into consideration for thermal conductivity increment of liquid, the average estimation error of the thermal conductivity increment is decreased from 17.7% to 8.6%. This indicates that the affection of viscosity is crucial. On the calculation of system temperature, the average error is decreased approximately 10%. This also indicates the consideration of liquid thermal conductivity is necessary. On the efficiency enhancement, the use of both diameter and laser wavelength in the biological laser photothermal therapy increase the heating efficiency for approximately 17.4%.

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