建立碳纳米管的一些数据手性矢量：=手性角：θ==周长：L=半径：R=当建立扶手椅型碳纳米管模型时此时m=nθ==0.61879441874128906546942007199234参考朱宏伟、吴德海、徐才录编写的《碳纳米管》页知，确定扶手椅型碳纳米管的n的取值范围（n=8~11）大部分的他纳米管的直径在1.16nm~1.6nm之间，而直径在1.2nm~1.4nm之间的碳纳米管最多此模型中取n=92R=1.2375888374825781309388401439847第一圈碳原子的角、坐标α=6.6818β=13.4559坐标为：21-i22i2siniINTINTRYA节点号角度θxyz16.68180.6145913565850.0719999796856233.59360.51544526220.3423780283973346.95720.4223547219550.452242215528473.8690.1719224034260.594431846273587.23260.0298763003670.618072762176114.1444-0.2531102562200.564660721907127.508-0.376766716670.4908700172888154.4198-0.558141297870.2671793859479167.7834-0.60478158840.130941830210194.6952-0.598553039556-0.156973856111208.0588-0.546064621618-0.291066936712234.9706-0.35518594795-0.50670452439213248.3342-0.22845400460-0.57507851676514275.2460.0565776720-0.6162024827015288.60960.19746850225666-0.58644072416315.52140.44151736046-0.43355386417328.8850.529769596345-0.319766645318355.79680.617130100160-0.0453538547由于在建立模型时，软件的分辨率有限，故要对所得数据进行一定的简化，满足软件的要求，现对数据做以下简化，保留三位小数节点号角度X(m)Y(m)Z(m)16.68186.15E-0107.2E-0110233.59365.15E-0103.42E-0100346.95724.22E-0104.52E-0100473.8691.72E-0105.94E-0100587.23263.0E-0116.18E-01006114.1444-2.53E-0105.65E-01007127.508-3.77E-0104.91E-01008154.4198-5.58E-0102.67E-01009167.7834-6.05E-0101.31E-010010194.6952-5.99E-010-1.57E-010011208.0588-5.46E-010-2.91E-010012234.9706-3.55E-010-5.07E-010013248.3342-2.28E-010-5.75E-010014275.2465.7E-011-6.16E-010015288.60961.97E-010-5.86E-010016315.52144.42E-010-4.34E-010017328.8855.30E-010-3.20E-010018355.79686.17E-010-4.5E-0110角度误差的计算：(11,AA)=18α+18β=6.6818*18+13.4559*18=362.4786故角的误差率为：0.6885%第二圈碳原子的角度、坐标α=6.6818β=13.4559坐标节点号角度XYZ1913.45590.6018080868100.14399152510.124707658144952026.81950.552232135910.2791884681250.124707658144952153.73130.3660619602157910.498903972670.124707658144952267.09490.240838466483000.5700029523830.124707658144952394.0067-0.043237100063230.617282014837540.1247076581449524107.3703-0.184738666248820.590574430411930.1247076581449525134.2821-0.432037101779680.443001665176980.1247076581449526147.6457-0.522729704338110.331149798227860.1247076581449527174.5575-0.616004822014820.058690645917840.1247076581449528187.9211-0.61289036513673-0.085275629498230.1247076581449529214.8329-0.50791967786165-0.353446082882080.1247076581449530228.1965-0.41247475072258-0.412474750722580.1247076581449531255.1083-0.15902570965821-0.598011167396960.1247076581449532268.4719-0.01650152355731-0.618574354773990.1247076581449533295.38370.265263632667721-0.559054324594390.1247076581449534308.74730.387295209284287-0.482606416792410.1247076581449535335.65910.563789343005732-0.255045308478580.1247076581449536349.0220.607470713839236-0.117838298067400.12470765814495由于在建立模型时，软件的分辨率有限，故要对所得数据进行一定的简化，满足软件的要求，现对数据做以下简化，保留三位小数简化后的数据如图节点号角度XYZ1913.45596.02E-0101.42E-0101.25E-0102026.81955.52E-0102.79E-0101.25E-0102153.73133.66E-0104.99E-0101.25E-0102267.09492.41E-0105.70E-0101.25E-0102394.0067-4.3E-0116.17E-0101.25E-01024107.3703-1.85E-0105.91E-0101.25E-01025134.2821-4.32E-0104.43E-0101.25E-01026147.6457-5.23E-0103.31E-0101.25E-01027174.5575-6.16E-0105.9E-0111.25E-01028187.9211-6.13E-010-8.5E-0111.25E-01029214.8329-5.08E-010-3.53E-0101.25E-01030228.1965-4.12E-010-4.12E-0101.25E-01031255.1083-1.59E-010-5.98E-0101.25E-01032268.4719-1.7E-011-6.19E-0101.25E-01033295.38372.65E-010-5.59E-0101.25E-01034308.74733.87E-010-4.83E-0101.25E-01035335.65915.64E-010-2.55E-0101.25E-01036349.0226.07E-010-1.18E-0101.25E-010()=18α+18β=6.6818*18+13.4559*18=362.4786故角的误差率为：0.6885%计算碳纳米管的长度为：m
