1 files changed, 13 insertions, 0 deletions
diff --git a/3492/CH1/EX1.1/Ex1_1.sce b/3492/CH1/EX1.1/Ex1_1.sce
new file mode 100644
index 000000000..d1b7ef6e7
--- /dev/null
+++ b/3492/CH1/EX1.1/Ex1_1.sce
@@ -0,0 +1,13 @@
+clc
+//Chapter1
+//Ex_1.1
+//Given
+A=8*10^-77 // in J m^6
+B=1.12*10^-133 // in J m^12
+//lennard-Jones 6-12 potential Energy (PE)curve is E(r)=-A*r^-6+B*r^-12
+//For bonding to occur PE should be minimum, hence differentiating the PE equation and setting it to Zero at r=ro we get
+ro=(2*B/A)^(1/6)
+disp(ro,"Bond length in meters is")
+E_bond= -A*ro^-6+(B*ro^-12)//in J
+E_bond=abs(E_bond/(1.6*10^-19))
+disp(E_bond,"Bond Energy for solid argon in ev is")