Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
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Improved Correlation Between Theoretical and Experimental Determination of Heat of Formation of Some Aliphatic Nitro Compounds

  • Pablo Duchowicz (CEQUINOR, Departamento de Quimica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata) ;
  • Eduardo A. Castro (CEQUINOR, Departamento de Quimica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata) ;
  • Pei-Chung Chen (Department of Chemical Engineering, Hsiuping Institute of Technology, Gungye Rd.)
  • Published : 2003.04.20
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Abstract

We present improved correlations between theoretical and experimental determination of heat of formation of some aliphatic nitro compounds. The method is based on a previously given theoretical procedure, which is ameliorate through the introduction of suitable bond parameters. The comparison with available experimental data and previous theoretical estimation show a quite satisfactory improvement. Some possible further extensions are pointed out.

본 논문에서는 몇몇 사슬형 니트로 화합물의, 실험적으로 측정된 생성열과 이론적으로 계산된 생성열과의 개선된 상관관계에 대해 보고하였다. 이 방법은 이전에 보고된 이론적인 방법을 따르고 있으며, 적당한 결합 파라메터를 도입하는 것으로 이전의 방법을 개선하였다. 실험적으로 측정된 값 그리고 이전의 이론값과 비교해본 결과 상당히 만족할 만한 결과를 보였다. 추후 적용 가능한 몇가지 점에 대해 지적하였다.

Keywords

References

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